6-Methyl-2-pyridinecarboxylic acid(934-60-1) IR1
Product Name6-Methyl-2-pyridinecarboxylic acid
CAS934-60-1
Molecular FormulaC7H7NO2
Molecular Weight137.14
InChIInChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKey LTUUGSGSUZRPRV-UHFFFAOYSA-N
SmilesC1(C(O)=O)=NC(C)=CC=C1
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MassMS-NW-8677 6-methyl-2-pyridinecarboxylic acid C7H7NO2 (Mass of molecular ion: 137)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.2 17.0 13.4 18.0 65.9 26.0 1.9 27.0 4.1 28.0 3.4 37.0 3.4 38.0 6.6 39.0 28.8 40.0 6.2 41.0 4.9 42.0 2.6 44.0 7.0 45.0 3.2 45.5 1.5 46.0 1.4 49.0 1.1 50.0 6.1 51.0 8.8 52.0 6.5 53.0 4.3 54.0 2.0 61.0 1.4 62.0 2.4 63.0 7.8 64.0 10.3 65.0 45.9 66.0 45.2 67.0 6.1 76.0 1.2 78.0 7.2 79.0 1.1 91.0 9.7 92.0 37.6 93.0 100.0 94.0 7.3 120.0 1.2 137.0 2.8 138.0 1.1
90 MHz at 50C
400 MHz in DMSO-d6
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 N O2 0.041 g : 0.5 ml CDCl3 at 50C 6-methyl-2-pyridinecarboxylic acid 
Assign. Shift(ppm)
A 8.022 B 7.823 C 7.427 D 6.0 E 2.622 400MHZ : HSP-43-620 INCLUDES H2O.
Hz ppm Int.723.94 8.084 47 715.75 7.992 90 710.38 7.932 28 709.50 7.923 30 709.00 7.917 35 707.63 7.902 146 700.06 7.817 230 692.50 7.733 108 668.38 7.463 82 660.44 7.375 60 541.25 6.044 79 234.94 2.624 1000
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1H NMR 399.65 MHz C7 H7 N O2 0.041 g : 0.5 ml DMSO-d6 6-methyl-2-pyridinecarboxylic acid Assign. Shift(ppm)
A 7.88 B 7.86 C 7.493 E 2.550
Hz ppm Int.3155.88 7.897 24 3148.19 7.878 207 3146.12 7.873 165 3142.82 7.864 435 3138.31 7.853 30 2998.66 7.504 86 2995.48 7.496 99 2994.02 7.492 74 2993.16 7.490 69 2989.87 7.482 79 1019.04 2.550 1000
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1H NMR 399.65 MHz C7 H7 N O2 0.016 g : 0.5 ml CDCl3 6-methyl-2-pyridinecarboxylic acid Assign. Shift(ppm)
A 8.049 B 7.846 C 7.441 E 2.633
Hz ppm Int.3221.31 8.061 94 3220.95 8.060 93 3220.46 8.059 91 3218.14 8.053 68 3213.75 8.042 114 3143.19 7.865 215 3135.50 7.846 414 3131.84 7.837 30 3127.81 7.827 206 2978.27 7.453 109 2974.61 7.444 66 2970.95 7.434 104 2970.58 7.433 103 1060.55 2.654 30 1052.25 2.633 1000 1042.97 2.610 46 1042.60 2.609 43
in CDCl3
KBr disc
nujol mull
