| 2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile | 2-Chloro-4,6-dimethylpyridine-3-carbonitrile | ||||||||
| Exp | Gas phasea | Aqueous solutiona | Exp | Gas phasea | Aqueous solutiona | ||||
| IRb | SQMd | Assignment | SQMe | Assignment | IRc | SQMd | Assignment | SQMe | Assignment |
| 3350 s | 3543 | nO18-H19 | 3523 | nO18-H19 | 3350 vw |
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| 3280 w | 3076 | nC4-H6 | 3085 | nC4-H6 |
| 3076 | nC4-H6 | 3097 | nC4-H6 |
| 3140 m | 3016 | n aCH3(C8) | 3050 | n aCH3(C12) | 3010 w | 3017 | n aCH3(C12) | 3030 | n aCH3(C12) |
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| 3015 | n aCH3(C12) | 3015 | n aCH3(C8) |
| 3017 | n aCH3(C8) | 3030 | n aCH3(C8) |
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| 2993 | naCH3(C12) |
| 2991 | naCH3(C8) | 2990 | naCH3(C8) |
| 2980 sh | 2987 | naCH3(C8) | 2978 | naCH3(C8) | 2975 w | 2986 | naCH3(C12) | 2989 | naCH3(C12) |
| 2950 s | 2984 | naCH3(C12) |
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| 2925 vs | 2932 | nsCH3(C8) | 2931 | nsCH3(C12) | 2920 w | 2934 | nsCH3(C8) | 2936 | nsCH3(C8) |
| 2850 s | 2931 | nsCH3(C12) | 2928 | nsCH3(C8) | 2850 w | 2932 | nsCH3(C12) | 2935 | nsCH3(C12) |
| 2220 s | 2250 | nC16-N17 | 2232 | nC16-N17 | 2225 m | 2254 | nC16-N17 | 2207 | nC16-N17 |
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| 1699 | nC3-C12 |
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| 1660 vs | 1601 | nC3-C4 | 1595 | nC3-C4 | 1600 vs | 1586 | nC3-C4 | 1585 | nC3-C4 |
| 1625 s |
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| 1536 | nC2-C3 |
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| 1530 m | 1548 | nC2-C3 | 1486 | nN7-C1 | 1535 m | 1531 | nC2-C3 | 1519 | nC2-C3 |
| 1480 s | 1484 | nC5-N7 | 1455 | daCH3(C8) |
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| 1465 sh | 1456 | daCH3(C8) | 1446 | daCH3(C12) | 1440 s | 1457 | daCH3(C8) | 1442 | nC5-N7 |
| 1460 s | 1447 | daCH3 (C12) | 1443 | daCH3(C12) |
| 1449 | daCH3(C12) | 1432 | daCH3(C12) |
| 1450 sh | 1443 | daCH3(C12) | 1440 | daCH3(C8) |
| 1444 | daCH3(C12) | 1425 | daCH3(C8) |
| 1430 m | 1440 | daCH3(C8) | 1433 | nC1-C2 |
| 1438 | daCH3(C8) | 1424 | daCH3(C12) |
| 1375 s | 1409 | nC1-O18 | 1392 | nC5-C8 | 1415 sh | 1427 | nC1-C2 | 1422 | daCH3(C8) |
| 1375 s | 1379 | dsCH3 (C12) | 1370 | dsCH3(C12) | 1380 s | 1379 | dsCH3(C12) | 1370 | dsCH3(C8) |
| 1360 sh | 1374 | dsCH3 (C8) | 1351 | dsCH3(C8) | 1360 m | 1375 | dsCH3 (C8) | 1362 | dsCH3(C12) |
| 1340 m | 1333 | nC4-C5 | 1292 | nC4-C5 |
| 1348 | nC4-C5 | 1346 | nC4-C5 |
| 1225 s | 1285 | dO18-H19 | 1222 | nC2-C16 | 1260 s | 1274 | nN7-C1 | 1272 | nN7-C1 |
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| 1250 sh | 1241 | nC5-N7 | 1245 | nC1-C2 |
| 1215 m | 1219 | bC4-H6 | 1219 | bC4-H6 | 1220 w | 1215 | bC4-H6 | 1216 | bC4-H6 |
| 1175 sh | 1205 | nC1-C2 |
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| 1160 m |
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| 1140 s | 1123 | nN7-C1 | 1111 | dO18-H19 | 1140 s | 1130 | bR1 | 1131 | bR1 |
| 1095 w | 1063 | rCH3(C12) | 1073 | nC1-O18 |
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| 1052 | r’CH3(C8) |
| 1060 sh | 1050 | r’CH3(C12) |
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| 1040 m | 1049 | r’CH3(C12) | 1048 | r’CH3(C12) |
| 1055 m | 1044 | r’CH3(C8) | 1050 | r’CH3(C8) r’CH3(C12) |
| 1046 | r’CH3(C8) |
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| 1025 w | 1019 | rCH3(C8) | 1022 | rCH3(C8) | 1020 | 1025 | rCH3(C12) | 1031 | rCH3(C8) |
| 995 w |
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| 1007 | gC4-H6 | 1000 | 1002 | rCH3(C8) | 1008 | rCH3(C12) |
| 960 w | 967 | bR1 | 963 | nC5-N7 | 950 w | 940 | nC5-C8 | 944 | nC5-C8 |
| 925 s | 934 | nC5-C8 | 911 | rCH3(C12) | 910 w |
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| 892 | gC4-H6 |
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| 880 sh | 876 | gC4-H6 |
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| 845 s | 851 | gC4-H6 | 795 | tR1 | 860 m | 859 | nC3-C12 | 847 | nC1-Cl18 |
| 775 s | 754 | gC1-O18 | 740 | tR1 | 740 w | 740 | tR1 | 736 | tR1 |
| 720 s | 691 | nC2-C16 | 672 | bR1 | 700 w | 692 | nC2-C16 | 696 | nC2-C16 |
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| 634 | gC1-O18 |
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| 640 s | 626 | gC5-C8 | 621 | tR2 | 620 w |
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| 620 | dC2C16N17 |
| 615 m | 618 | bC5-C8 | 614 | gC5-C8,tR1 | 615 w | 615 | bC2-C16 | 614 | gC5-C8 |
| 590 vw | 588 | nC3-C12 |
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| 600 sh | 606 | gC5-C8 |
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