2-Hydroxynicotinic acid(609-71-2) IR2
Product Name2-Hydroxynicotinic acid
CAS609-71-2
Molecular FormulaC6H5NO3
Molecular Weight139.11
InChIInChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
InChIKey UEYQJQVBUVAELZ-UHFFFAOYSA-N
SmilesC1(=O)NC=CC=C1C(O)=O
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MassMS-NW-9926 2-hydroxynicotinic acid C6H5NO3 (Mass of molecular ion: 139)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.7 18.0 9.2 26.0 1.7 27.0 2.3 28.0 19.7 29.0 2.0 32.5 1.6 36.0 1.0 37.0 8.2 38.0 16.4 39.0 37.7 40.0 11.4 41.0 10.3 41.5 1.2 42.0 2.3 43.0 1.2 44.0 4.4 45.0 3.4 47.0 1.1 49.0 1.5 50.0 4.9 51.0 4.2 52.0 2.7 53.0 6.1 54.0 1.5 55.0 3.6 61.0 2.3 63.0 1.0 64.0 3.1 65.0 12.6 66.0 21.3 67.0 26.4 68.0 2.8 69.0 1.2 76.0 1.0 77.0 3.1 83.0 1.0 93.0 30.4 94.0 27.1 95.0 100.0 96.0 6.1 120.0 1.5 121.0 6.6 122.0 10.2 139.0 46.1 140.0 6.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H5 N O3 0.032 g : 0.5 ml DMSO-d6 2-hydroxynicotinic acid 
Assign. Shift(ppm)
A *1 14.8 B *1 13.4 C 8.421 D 7.992 E 6.723
Hz ppm Int.5921.39 14.817 92 5346.43 13.378 68 3374.51 8.444 30 3370.61 8.434 892 3368.41 8.429 907 3363.28 8.416 929 3361.08 8.411 925 3357.42 8.401 28 3356.45 8.399 24 3198.97 8.005 840 3196.78 7.999 836 3192.63 7.989 889 3190.67 7.984 824 3186.77 7.974 35 2693.60 6.740 858 2687.26 6.725 1000 2686.52 6.723 958 2680.18 6.707 823 2675.54 6.695 23
in DMSO-d6
KBr disc
nujol mull
