3-Hydroxy-4-methylbenzoic acid(586-30-1) Raman
Product Name3-Hydroxy-4-methylbenzoic acid
CAS586-30-1
Molecular FormulaC8H8O3
Molecular Weight152.15
InChIInChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)
InChIKey ZQLCWPXBHUALQC-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(C)C(O)=C1
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MassMS-IW-9535 3-hydroxy-4-methylbenzoic acid C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.8 27.0 5.0 28.0 2.8 29.0 1.2 37.0 1.3 38.0 3.5 39.0 11.1 40.0 1.0 41.0 2.1 43.0 2.4 44.5 1.5 45.0 2.2 50.0 5.8 51.0 12.1 52.0 6.2 53.0 10.2 53.5 1.3 55.0 3.0 62.0 2.7 63.0 4.2 65.0 1.6 66.0 1.7 67.0 4.4 67.5 1.2 74.0 1.8 75.0 1.9 76.0 1.9 77.0 26.5 78.0 9.3 79.0 16.3 80.0 2.5 89.0 1.4 90.0 2.2 92.0 1.1 95.0 1.4 105.0 6.0 106.0 11.1 107.0 100.0 108.0 10.1 123.0 3.2 134.0 6.2 135.0 41.2 136.0 3.9 151.0 8.0 152.0 97.6 153.0 8.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H8 O3 0.037 g : 0.5 ml DMSO-d6 3-hydroxy-4-methylbenzoic acid 
Assign. Shift(ppm)
A 13. B 9.71 C 7.423 D 7.338 E 7.179 F 2.191
Hz ppm Int.3879.01 9.707 33 2967.64 7.426 276 2965.94 7.422 320 2937.94 7.352 142 2936.45 7.348 130 2930.25 7.333 175 2928.75 7.329 171 2873.20 7.190 202 2872.77 7.189 198 2865.50 7.171 159 2864.86 7.169 166 875.89 2.192 1000
in DMSO-d6
KBr disc
nujol mull
