2-Hydroxy-5-pyridinecarboxylic acid(5006-66-6) MS
Product Name2-Hydroxy-5-pyridinecarboxylic acid
CAS5006-66-6
Molecular FormulaC6H5NO3
Molecular Weight139.11
InChIInChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
InChIKey BLHCMGRVFXRYRN-UHFFFAOYSA-N
SmilesC1NC(=O)C=CC=1C(O)=O
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MassMS-NW-6546 6-hydroxynicotinic acid C6H5NO3 (Mass of molecular ion: 139)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 3.1 18.0 12.0 25.0 1.1 26.0 2.9 27.0 3.6 28.0 19.9 29.0 3.6 32.5 1.6 36.0 1.8 37.0 12.0 38.0 22.3 39.0 41.6 40.0 9.0 41.0 8.1 42.0 3.5 44.0 1.9 45.0 6.2 47.0 1.3 49.0 2.2 50.0 7.3 51.0 5.4 52.0 3.9 53.0 4.6 54.0 9.1 55.0 6.4 56.0 1.1 63.0 1.9 64.0 4.3 65.0 6.8 66.0 21.4 67.0 36.6 68.0 3.4 69.0 2.1 79.0 1.2 82.0 2.3 83.0 4.1 84.0 2.4 93.0 12.2 94.0 57.8 95.0 18.6 96.0 1.2 111.0 34.0 112.0 2.1 121.0 2.4 122.0 12.6 123.0 1.0 139.0 100.0 140.0 7.1
400 MHz in DMSO-d6
parameter in DMSO-d6
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1H NMR 399.65 MHz C6 H5 N O3 0.041 g : 0.5 ml DMSO-d6 6-hydroxynicotinic acid 
Assign. Shift(ppm)
A 12.4 B 8.037 C 7.822 D 6.392
Hz ppm Int.4966.56 12.428 101 3213.47 8.041 925 3210.91 8.035 973 3132.51 7.839 630 3129.77 7.832 574 3122.81 7.814 653 3120.24 7.808 619 2559.94 6.406 1000 2555.17 6.394 36 2550.41 6.382 968
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1H NMR 300 MHz C6 H5 N O3 30 % in DMSO 6-hydroxynicotinic acid Parameter ppm Hz
D(A) 8.20 D(B) 7.98 D(C) 6.53 J(A,B) 2.6 J(A,C) 0.3 J(B,C) 9.7 D(D) 11.5 D(E) 11.5 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962) J(A,C):LESS THAN 0.3HZ. H(D) AND H(E) ARE BROAD PEAKS.
Hz ppm Int.3449.99 11.500 1000 2461.35 8.204 227 2458.75 8.196 244 2400.18 8.001 132 2397.63 7.992 123 2390.47 7.968 138 2387.92 7.960 128 1963.85 6.546 238 1954.14 6.514 228
KBr disc
nujol mull
