Spettroscopia IR e MS Esercizi
1) I II III IV 725 1378 3000-2800 1465 Nessun assorbimento sopra 3000 cm -1-1 : probabile composto saturo. Picchi tra 2800 e 3000 cm -1-1 : frequenze di stretching caratteristiche dei C-H di gruppi alchilici. Picchi a 1465 e 1378 cm -1-1 : anche caratteristici di gruppi alchilici. Quello a 1465 cm -1-1 dovuto al bending asimmetrico dei gruppi -CH 3 ed al movimento di scissoring dei gruppi -CH -, -1 2 -, mentre quello a 1378 cm -1 è dovuto al bending simmetrico dei gruppi -CH 3. La banda vicino a 725 cm -1-1 dovuta al rocking di quattro metileni adiacenti. La semplicità dello spettro al di sotto di 1100 cm -1-1 suggerisce che il il composto è aciclico.
1) C 6 H 14 15.0 1 26.0 1 27.0 22 28.0 4 29.0 42 30.0 1 38.0 1 39.0 14 40.0 3 41.0 72 42.0 42 43.0 80 44.0 2 51.0 1 53.0 2 54.0 1 55.0 12 56.0 70 57.0 100 58.0 4 69.0 8 70.0 2 71.0 11 84.0 3 86.0 10 29.0 42 41.0 72 43.0 80 42.0 42 57.0 100 86.0 10
2) 3000-2800 1465 Bande tra 3000 e 2800 cm -1 : dovute agli assorbimentialifatici di -CH 2 e CH 3. Forte picco a 1465 cm -1 dovuto allo scissoring dei gruppi -CH 2 e CH 3. Bande a 1395 e 1366 cm -1 dovute al gruppo -C(CH 3 ) 3. Bande a 1385 e 1366 cm -1 dovute al gruppo -CH(CH 3 ) 2. Le bande a 1245 e 1203 cm -1 attribuite a R-tbutile; ; la banda a 1170 cm -1 attribuita a R-isopropile.
2) C 8 H 18 27.0 5 29.0 8 39.0 5 40.0 1 41.0 21 42.0 1 43.0 18 53.0 1 55.0 3 56.0 33 57.0 100 58.0 4 99.0 6 43.0 18 57.0 100 99.0 6
3) impurezza 1650 3050 3000-2800 1450-1440 640 3050 cm -1-1 : stretching -CH olefinico. 3000-2800 cm -1-1 : stretching -CH 2. 2670 cm -1-1 : overtone o banda di combinazione. 1650 cm -1-1 : stretching C=C. 1450-1440 1440 cm -1-1 : bending -CH 2. 640 cm -1-1 : bending CH=CH cis.
3) C 6 H 10 39.0 25 41.0 31 54.0 72 67.0 100 82.0 43 83.0 3 26.0 1 27.0 11 28.0 1 29.0 1 37.0 1 38.0 2 39.0 25 40.0 3 41.0 31 42.0 2 50.0 4 51.0 6 52.0 3 53.0 10 54.0 72 55.0 5 56.0 1 65.0 3 66.0 2 67.0 100 68.0 5 77.0 4 78.0 1 79.0 6 80.0 1 81.0 11 82.0 43 83.0 3
4) 1780 1673 3100-3000 1645 1375 800 3000-2800 1460-1440 3100-3000 3000 cm -1-1 : stretching -CH olefinici. 3000-2800 cm -1-1 : stretching -CH 2 ee-ch 3. 1780 cm -1-1 : overtone della banda a 890 cm -1-1. 1673 cm -1-1 : stretching R C=CHR. 2 1645 cm -1-1 : stretching R C=CH 2 2. 1460-1440 1440 cm -1-1 : bending -CH 2 ee-ch 3. 1375 cm -1-1 : bending simmetrico -CH 3. 895 cm -1-1 : bending R C=CH 2 2. 800 cm -1-1 : bending R C=CHR. 2 895
4) C 10 H 16 41.0 19 68.0 100 93.0 59 121.0 19 107.0 17 136.0 22 27.0 9 28.0 1 29.0 5 39.0 15 40.0 5 41.0 19 42.0 2 43.0 3 50.0 1 51.0 4 52.0 2 53.0 17 54.0 1 55.0 7 63.0 1 65.0 4 66.0 2 67.5 0 68.0 100 69.0 9 77.0 11 78.0 3 79.0 22 80.0 11 81.0 10 82.0 2 91.0 12 92.0 18 93.0 59 94.0 22 95.0 7 105.0 4 106.0 1 107.0 17 108.0 4 119.0 1 121.0 19 122.0 1 136.0 22 137.0 2
5) 2000-1700 1415 3100-3000 1625 1600-1450 990 910 775 700 3100-3000 3000 cm -1-1 : stretching -CH olefinici e aromatici. 2000-1700 cm -1-1 : overtones aromatico mono sostituito più overtone a 1820 del segnale a 910. 1625 cm -1-1 : C=C coniugato. 1600, 1575, 1495, 1450 cm -1-1 : anello aromatico. 1415 cm -1-1 : =CH 2. 990 cm -1-1 : =CH vinilico trans. 910 cm -1-1 : bending =CH 2. 775 cm -1-1 : 5 idrogeni aromatici adiacenti. 700 cm -1-1 : anello aromatico.
5) C 8 H 8 27.0 2 38.0 1 39.0 6 50.0 7 51.0 16 52.0 6 53.0 1 62.0 1 63.0 4 65.0 1 74.0 3 75.0 2 76.0 3 77.0 17 78.0 35 79.0 2 89.0 1 102.0 6 103.0 40 104.0 100 105.0 8 51.0 16 78.0 35 104.0 100
6) 1605 2000-1700 1375 1420 3100-3000 3000-2800 3100-3000 3000 cm -1-1 : stretching -CH aromatici. 3000-2800 cm -1-1 : stretching -CH 2 ee-ch 3. 2000-1700 cm -1-1 : overtones aromatico para sostituito. 1605, 1515 cm -1-1 : anello aromatico. 1450 cm -1-1 : bending -CH 2 ee-ch 3. 1375 cm -1-1 : bending simmetrico -CH 3. 1420 cm -1-1 : anello aromatico para. 815 cm -1-1 : 2 idrogeni aromatici adiacenti. 1515 1450 815
6) C 9 H 12 105.0 100 27.0 2 39.0 4 41.0 1 50.0 1 51.0 4 52.0 1 53.0 1 58.0 1 59.0 1 62.0 1 63.0 2 65.0 4 77.0 8 78.0 3 79.0 5 89.0 1 91.0 8 92.0 1 102.0 1 103.0 5 104.0 2 105.0 100 106.0 9 115.0 2 117.0 2 119.0 3 120.0 28 121.0 3 91.0 8 120.0 28
7) 2000-1700 3100-3000 1440 1580, 1570 1475 1082 740 700 3100-3000 3000 cm -1-1 : stretching -CH aromatici. 2000-1700 cm -1-1 : overtones aromatico mono sostituito. 1580, 1570 cm -1-1 : anello aromatico. 1475, 1440 cm -1-1 : anello aromatico. 740, 700 cm -1-1 : anello aromatico mono.
7) CALCOLO FORMULA MOLECOLARE 1082 cm - 1 : arile-cl Cl. 27.0 1 37.0 2 38.0 6 39.0 1 49.0 1 50.0 12 51.0 16 52.0 1 56.0 3 57.0 1 73.0 2 74.0 5 75.0 5 76.0 4 77.0 52 111.0 0 112.0 100 113.0 6 114.0 31 115.0 2 51.0 16 77.0 52 112.0 100
8) 3100-3000 2000-1700 1608 1577 1438 1460 1035 748 3100-3000 3000 cm -1-1 : stretching -CH aromatici. 2000-1700 cm -1-1 : overtones aromatico orto sostituito. 1608, 1577 cm -1-1 : anello aromatico. 1460, 1438 cm -1-1 : anello aromatico. 748 cm -1-1 : anello aromatico orto sostituito.
8) CALCOLO FORMULA MOLECOLARE 1035 cm - 1 : arile-cl Cl. 18.0 1 37.0 2 38.0 1 49.0 2 50.0 9 51.0 3 55.0 3 56.0 1 61.0 1 73.0 5 74.0 7 75.0 19 76.0 2 84.0 2 85.0 3 86.0 1 109.0 1 110.0 2 111.0 34 112.0 3 113.0 9 145.5 0 146.0 100 147.0 6 148.0 64 149.0 4 150.0 10 111.0 34 146.0 100
9) 2000-1700 1600 1585 3100-3000 1500 1420 3300 3000-2800 1455 1020 740 700 3300 (largo) cm -1-1 : -OH. 3100-3000 3000 cm -1-1 : stretching -CH aromatici. 3000-2800 cm -1-1 : stretching -CH 2. 2000-1700 cm -1-1 : overtones aromatico mono sostituito. 1600, 1585 cm -1-1 : anello aromatico. 1500, 1455 cm -1-1 : anello aromatico. 1455 cm -1-1 : bending -CH 2. 1420 cm -1-1 : -OH. 1020 cm -1-1 : bending -CH 2 -OH. 740, 700 cm -1-1 : aromatico mono sostituito.
9) C 7 H 8 O 18.0 1 26.0 1 27.0 5 28.0 1 29.0 4 31.0 3 37.0 1 38.0 3 39.0 10 40.0 1 41.0 1 43.0 1 49.0 1 50.0 10 51.0 21 52.0 6 53.0 5 53.5 2 54.0 1 61.0 1 62.0 2 63.0 5 64.0 1 65.0 7 74.0 3 75.0 1 76.0 1 77.0 48 78.0 11 79.0 100 80.0 9 89.0 6 90.0 8 91.0 17 92.0 2 105.0 4 106.0 1 107.0 67 108.0 99 109.0 8 79.0 108
10) impurezza 1845 1645 1450 3100-3000 1375 1420 990 3000-2800 3100-3000 3000 cm -1-1 : stretching -CH olefinici. 3000-2800 cm -1-1 : stretching -CH 2. 1845 cm -1-1 : overtone della banda a 925 cm -1-1. 1645 cm -1-1 : stretching RHC=CH 2. 1450 cm -1-1 : bending -CH 2. 1420 cm -1-1 : =CH 2. 1090 cm -1-1 : CH 2 -O- CH 2. 990 cm -1-1 : -CH vinilici trans. 925 cm -1-1 : =CH 2 vinilico. 1090 925
10) C 6 H 10 O 41.0 15.0 1 26.0 2 27.0 11 28.0 4 29.0 8 31.0 2 38.0 2 39.0 26 40.0 4 41.0 100 42.0 22 43.0 5 44.0 1 54.0 13 55.0 8 56.0 12 57.0 10 58.0 1 69.0 12 70.0 2 83.0 5 86.0 1 97.0 1 86.0 97.0
11) 1405 3120-3000 3000-2800 3120-3000 3000 cm -1-1 : stretching -CH olefinici. 3000-2800 cm -1-1 : stretching -CH 2 e -CH 3. 1640, 1610 cm -1-1 : O-C=C (isomeri rotazionali). 1465 cm -1-1 : bending -CH 2 e -CH 3. 1405 cm -1-1 : =CH 2. 1385, 1365 cm -1-1 : -CH(CH 3 ) 2. 1203 cm -1-1 : stretching antisimmetrico C-O-C=. C=. 1015 cm -1-1 : stretching simmetrico C-O-C=. C=. 965 cm -1-1 : wagging -CH vinilici trans. 815 cm -1-1 : wagging =CH 2 vinilico con sostituente elettrondonatote. 1640 e 1610 1465 1385 e 1375 1203 1015 965 815
11) C 6 H 12 O 41.0 57.0 29.0 14.0 1 15.0 5 26.0 3 27.0 24 28.0 4 29.0 57 30.0 1 31.0 11 38.0 2 39.0 23 40.0 3 41.0 100 42.0 6 43.0 9 44.0 18 45.0 4 51.0 1 53.0 2 55.0 12 56.0 69 57.0 99 58.0 4 59.0 4 67.0 1 73.0 1 85.0 1 100.0 20 101.0 1 100.0
12) 3420 723 1465 1360 1160 3000-2800 1410 1715 3420 cm -1-1 : overtone del picco 1715 cm -1-1. 3000-2800 cm -1-1 : stretching -CH 2 e -CH 3. 1715 cm -1-1 : C=O non coniugato. 1465 cm -1-1 : bending -CH 2 e -CH 3. 1410 cm -1-1 : -CH 2 -C=O e CH 3 -C=O. 1360 cm -1-1 : CH 3 -C=O. 1160 cm -1-1 : bending C-(C=O)-C alifatico. 723 cm -1-1 : rocking (CH 2 ) 4.
12) C 11 H 22 O 58.0 15.0 1 27.0 6 28.0 1 29.0 9 39.0 5 40.0 1 41.0 16 42.0 4 43.0 56 44.0 1 53.0 1 54.0 1 55.0 8 56.0 4 57.0 11 58.0 100 59.0 31 60.0 1 67.0 1 68.0 1 69.0 3 70.0 3 71.0 26 72.0 2 81.0 2 82.0 2 83.0 2 84.0 1 85.0 6 95.0 2 96.0 2 100.0 1 110.0 4 112.0 5 113.0 1 127.0 2 155.0 2 170.0 7 171.0 1 43.0 71.0 170.0
13) impurezza 3340 2000-1700 3100-3000 3000-2800 1570 1425 1680 1600 1403 1360 1180 1265 810 3340 cm -1-1 : overtone del picco a 1680 cm -1-1. 3100-3000 3000 cm -1-1 : stretching -CH aromatici. 3000-2800 cm -1-1 : stretching -CH 3. 2000-1700 cm -1-1 : overtones aromatico para sostituito. 1680 cm -1-1 : C=O coniugato. 1600, 1570 cm -1 : anello aromatico. 1425, 1360 cm -1 : bending 1403 cm -1 : CH 3 -C=O. 1265 cm -1 : arile-c=o C=O. -CH 3. 1180 cm -1 : bending C-(C=O)-C aromatico. 810 cm -1 : 2 H aromatici adiacenti.
13) C 9 H 10 O 27.0 1 38.0 1 39.0 9 41.0 2 43.0 8 50.0 3 51.0 5 52.0 1 62.0 3 63.0 7 64.0 2 65.0 18 66.0 1 74.0 1 77.0 2 89.0 6 90.0 3 91.0 65 92.0 5 118.0 0 119.0 100 120.0 8 134.0 32 135.0 3 91 119 134
14) 1390 3500 (impurezza) + 3430 725 2720 1465 1360 1415 3000-2800 3430 cm -1-1 : overtone del picco 1727 cm -1-1. 3000-2800 cm -1-1 : stretching -CH 2 e -CH 3. 2720 cm -1-1 : stretch. H-C=O non coniugato. 1727 cm -1-1 : C=O non coniugato. 1465 cm -1-1 : bending -CH 2 e -CH 3. 1415 cm -1-1 : -CH 2 -C=O. 1390 cm -1-1 : bend. H-C=O. 1380 cm -1-1 : C-CH CH 3. 725 cm -1-1 : rocking (CH 2 ) 4. 1727
14) C 7 H 14 O 44.0 70.0 15.0 2 26.0 2 27.0 30 28.0 7 29.0 40 30.0 1 31.0 1 38.0 1 39.0 19 40.0 3 41.0 66 42.0 53 43.0 84 44.0 100 45.0 21 51.0 1 53.0 4 54.0 7 55.0 58 56.0 9 57.0 46 58.0 6 59.0 1 60.0 1 67.0 8 68.0 17 69.0 7 70.0 93 71.0 23 72.0 8 74.0 2 81.0 19 82.0 2 83.0 3 84.0 1 85.0 4 86.0 15 87.0 1 95.0 2 96.0 14 97.0 2 114.0 1 29.0 96.0 114.0
15) 725 1465 1380 1365 1040 3000-2800 1742 1240 3000-2800 cm -1-1 : stretching -CH 2 e -CH 3. 1742 cm -1-1 : C=O estereo non coniugato. 1465 cm -1-1 : bending -CH 2 e -CH 3. 1380 cm -1-1 : C-CH CH 3. 1365 cm -1-1 : CH 3 -C=O. 1240 cm -1-1 : C-O estereo acetato. 1040 cm -1-1 : O-CH 2 estereo acetato. 723 cm -1-1 : rocking (CH 2 ) 4.
15) C 8 H 16 O 2 43.0 15.0 5 18.0 2 27.0 9 28.0 1 29.0 9 31.0 1 39.0 5 40.0 1 41.0 20 42.0 22 43.0 100 44.0 3 53.0 1 54.0 2 55.0 29 56.0 57 57.0 4 58.0 4 61.0 24 67.0 1 69.0 17 70.0 1 71.0 1 73.0 11 82.0 1 83.0 3 84.0 21 85.0 1 87.0 1 101.0 1 55.0 85.0 101.0
16) 3460 3100-3000 740 1640 1465 1380 3000-2800 1625 985 970 1727 1410 1275 1195 815 3420 cm -1-1 : overtone del picco 1715 cm -1-1. 3100-3000 cm -1-1 : CH olefinico. 3000-2800 cm -1-1 : stretch. -CH 2 e -CH 3. 1727 cm -1-1 : C=O estereo coniugato. 1640 cm -1-1 : C=C. 1625 cm -1-1 : overtone del segnale a 815. 1465 cm -1-1 : -CH 2 e -CH 3. 1410 cm -1 : =CH 2. 1380 cm -1 : CH 3 -C=O. 1275, 1195 cm -1 : =CH-CO-O-C estere insaturo. 985 cm -1 : CH vinilico trans. 970 cm -1 : =CH 2 vinilico con sost. elettr. attr.. 815 cm -1 : CH vinilico cis, acrilato. 740 cm -1 : rocking (CH 2 ) 4.
16) C 7 H 12 O 2 55.0 26.0 3 27.0 24 28.0 4 29.0 10 31.0 2 39.0 4 41.0 17 42.0 1 54.0 0 55.0 100 56.0 51 57.0 5 68.0 1 69.0 1 70.0 1 73.0 36 74.0 1 85.0 7 99.0 1 27.0 85.0 99.0
17) 3460 3100-3000 1160 1465 3000-2800 1645 1758 1420 1380 955 875 3460 cm -1-1 : overtone del picco 1758 cm -1-1. 3100-3000 3000 cm -1-1 : CH olefinico. 1420 cm -1 : =CH 2, CH 2 -C=O. 3000-2800 cm -1-1 : stretch. -CH 2 e -CH 3. 1380 cm -1 : C-CHCH 3. 1758 cm -1-1 : C=O estereo con sost. elettr. attr.. 1160 cm -1 : CO estere non coniugato. 1645 cm -1-1 : C=C. 955 cm -1 : CH vinilico trans. 1465 cm -1-1 : -CH 2 e -CH 3. 875 cm -1 : =CH 2 vinilico con sost. elettr. donat..
17) C 6 H 10 O 2
18-24) 2560 1380 1280 725 1465 3000-2800 3000-2800 cm --1 1 : stretching -CH 2 e -CH 3. 2560 cm --1 1 : -SH. 1465 cm --1 1 : bending -CH 2 e -CH 3. 1380 cm --1 1 : C-CH CH 3. 1280 cm --1 1 : -CH 2 -S. 725 cm --1 1 : rocking (CH 2 ) 4.
18) CALCOLO FORMULA MOLECOLARE 56.0 93 41.0 58 70.0 100 132.0 40 133.0 3 134.0 2 54.0 6 55.0 62 56.0 93 57.0 33 58.0 1 26.0 1 59.0 2 27.0 21 60.0 3 28.0 4 61.0 14 29.0 27 62.0 1 35.0 2 67.0 2 39.0 14 68.0 16 40.0 2 69.0 51 41.0 58 70.0 100 42.0 50 71.0 6 43.0 46 83.0 9 44.0 1 89.0 7 45.0 5 98.0 22 46.0 2 99.0 2 47.0 21 131.0 1 48.0 1 132.0 40 49.0 1 133.0 3 53.0 3 134.0 2
19) 2000-1700 3230 3100-3000 3450 3370 1618 1600 1445 1480 1265 1075 850 770 680 3450, 3370 cm -1-1 : -NH -1 2 overtone del picco 1715 cm -1. 1265 cm -1 : arile-n. 3230 cm -1-1 : overtone del picco 1715 cm -1-1. 1075 cm -1 : arile-cl Cl. 3100-3000 3000 cm -1-1 : CH aromatici. 850 cm -1 : 1H arom. isolato. 2000-1700 cm -1-1 : overtones aromatici meta. 770 cm -1 : 3H arom. adiacenti. 1618 cm -1-1 : -NH 2 circa700 cm -1 : molto largo, -NH 2. 1600, 1480, 1445 cm -1-1 : anello aromatico.. 770 cm -1 : anello arom..
19) C 6 H 6 NCl 28.0 3 37.0 2 38.0 4 39.0 9 40.0 1 41.0 3 42.0 1 44.5 1 45.5 5 50.0 2 51.0 1 52.0 4 61.0 2 62.0 3 63.0 7 64.0 7 65.0 30 66.0 3 73.0 2 74.0 1 75.0 2 90.0 2 91.0 6 92.0 21 93.0 1 99.0 4 100.0 9 101.0 2 102.0 3 126.0 1 127.0 100 128.0 7 129.0 31 130.0 2 65.0 92.0 127.0
20) 2000-1700 3100-3000 3000-2800 1580 1610 1520 1380 1350 730 3100-3000 3000 cm -1-1 : CH arom.. 3000-2800 cm -1-1 : stretching -CH 3. 2000-1700 cm -1-1 : overtone aromatico orto. 1610, 1580, 1485, 1435 cm -1-1 : anello aromatico. 1520, 1350 cm -1-1 : -NO coniugato. 2 1460, 1380 cm -1-1 : C-CH CH 3. 730 cm -1-1 : aromatico orto.
20) C 7 H 7 NO 2 120.0 26.0 1 27.0 3 28.0 2 30.0 3 37.0 1 38.0 4 39.0 25 40.0 1 41.0 6 50.0 7 51.0 12 52.0 4 53.0 3 61.0 2 62.0 5 63.0 17 64.0 7 65.0 79 66.0 6 74.0 1 75.0 1 76.0 1 77.0 19 78.0 4 79.0 4 86.0 1 87.0 1 89.0 17 90.0 9 91.0 60 92.0 49 93.0 6 119.0 0 120.0 100 121.0 9 137.0 12 138.0 1 65.0 91.0 137.0
21) 865 3000-2800 3000-2800 cm -1-1 : stretching -CH 2 e -CH 3. 1630 cm -1-1 : -O-NO 2. 1480, 1450 cm -1-1 : bending -CH 2 e -CH 3. 1385, 1370 cm -1-1 : -O-CH 2,,C-CH CH 3. 1285 cm -1-1 : -O-NO 2. 865 cm -1-1 : -O-NO 2. 1630 1385 1480 1450 1370 1285
21) C 2 H 5 NO 3 15.0 4 18.0 2 27.0 6 28.0 4 29.0 20 30.0 12 31.0 2 43.0 8 44.0 2 45.0 1 46.0 100 76.0 35 90.0 1 29.0 20 46.0 100 76.0 35 90.0 1
22) 3100-3000 1580 1480 77.0 100 50.0 11 141.0 39 176.0 8 18.0 1 27.0 2 28.0 1 37.0 1 38.0 1 39.0 4 48.0 1 50.0 11 51.0 29 52.0 1 64.0 2 65.0 3 69.0 1 74.0 3 75.0 2 1450 76.0 2 77.0 100 78.0 8 97.0 1 109.0 2 110.0 1 112.0 2 125.0 3 141.0 39 142.0 2 143.0 2 176.0 8 178.0 3 1375 1175 760 680 720 3100-3000 3000 cm -1-1 ::-CHaromatici. 1580, 1480, 1450 cm -1-1 : anello aromatico. 1375, 1175 cm -1-1 : -C-SO 2 -Cl. 1180, 720 cm -1-1 : arile-s. 760 cm -1-1 : 5 H adiacenti. 680 cm -1-1 : anello.