3-Hydroxy-2-methylbenzoic acid(603-80-5) IR2
Product Name3-Hydroxy-2-methylbenzoic acid
CAS603-80-5
Molecular FormulaC8H8O3
Molecular Weight152.15
InChIInChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)
InChIKey RIERSGULWXEJKL-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC(O)=C1C
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MassMS-IW-8193 3-hydroxy-o-toluic acid C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 2.5 18.0 8.1 27.0 2.9 28.0 2.7 29.0 1.0 37.0 1.1 38.0 2.6 39.0 7.5 40.0 1.0 41.0 1.8 43.0 2.9 44.0 1.1 44.5 1.7 45.0 1.3 50.0 3.3 51.0 7.1 52.0 4.0 52.5 1.3 53.0 5.0 53.5 1.6 55.0 1.7 61.0 1.0 62.0 1.5 63.0 2.5 65.0 1.8 66.0 1.2 67.0 5.9 67.5 1.6 74.0 1.4 75.0 1.2 76.0 1.3 77.0 16.9 78.0 10.9 79.0 9.7 80.0 1.4 89.0 1.0 90.0 1.4 95.0 1.3 105.0 7.6 106.0 41.0 107.0 41.5 108.0 4.0 116.0 1.2 133.0 1.6 134.0 51.0 135.0 16.2 136.0 1.6 151.0 3.7 152.0 100.0 153.0 8.9 154.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H8 O3 0.035 g : 0.5 ml DMSO-d6 3-hydroxy-o-toluic acid 
Assign. Shift(ppm)
A 13. B 9.6 C 7.205 D 7.070 E 6.983 F 2.323
Hz ppm Int.2884.74 7.219 105 2883.67 7.216 117 2877.04 7.199 147 2875.97 7.197 151 2833.88 7.091 82 2826.40 7.073 172 2818.71 7.053 99 2818.28 7.052 101 2794.77 6.994 144 2793.71 6.991 156 2786.65 6.973 102 2785.59 6.971 102 928.46 2.324 1000
in DMSO-d6
KBr disc
nujol mull
