4-Hydroxy-3,5-dimethylbenzoic acid(4919-37-3) MS
Product Name4-Hydroxy-3,5-dimethylbenzoic acid
CAS4919-37-3
Molecular FormulaC9H10O3
Molecular Weight166.17
InChIInChI=1S/C9H10O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3,(H,11,12)
InChIKey OMNHTTWQSSUZHO-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(C)=C(O)C(C)=C1
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MassMS-KW-0187 4-hydroxy-3,5-dimethylbenzoic acid C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.5 27.0 2.2 28.0 1.9 39.0 5.0 41.0 2.3 43.0 3.9 44.0 2.0 45.0 2.2 50.0 1.5 51.0 4.6 52.0 1.5 53.0 4.0 55.0 1.5 62.0 1.0 63.0 2.5 65.0 4.7 66.0 1.1 67.0 1.8 69.0 4.0 74.0 1.9 77.0 12.8 78.0 2.7 79.0 2.3 91.0 11.4 92.0 1.6 93.0 4.3 94.0 1.0 103.0 4.2 104.0 1.4 105.0 1.0 107.0 7.8 119.0 1.7 120.0 3.2 121.0 60.6 122.0 9.5 123.0 1.2 148.0 2.6 149.0 48.2 150.0 5.2 151.0 5.5 165.0 8.4 166.0 100.0 167.0 10.1 168.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H10 O3 0.037 g : 0.5 ml DMSO-d6 4-hydroxy-3,5-dimethylbenzoic acid 
Assign. Shift(ppm)
A 12.3 B 9.03 C 7.574 D 2.215
Hz ppm Int.3608.20 9.029 28 3027.01 7.575 315 885.24 2.216 1000
in DMSO-d6
KBr disk
Nujol
