3-Methoxy-4-methylbenzoic acid(7151-68-0) IR2
Product Name3-Methoxy-4-methylbenzoic acid
CAS7151-68-0
Molecular FormulaC9H10O3
Molecular Weight166.17
InChIInChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChIKey CEAVPXDEPGAVDA-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(C)C(OC)=C1
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MassMS-NW-8932 3-methoxy-4-methylbenzoic acid C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 1.7 39.0 4.5 41.0 1.6 43.0 1.1 45.0 1.0 50.0 2.2 51.0 6.7 52.0 4.2 53.0 2.6 55.0 1.6 62.0 1.1 63.0 3.7 65.0 3.7 66.0 1.0 67.0 2.7 77.0 15.4 78.0 6.6 79.0 4.3 89.0 2.9 90.0 2.2 91.0 20.4 92.0 2.5 93.0 3.1 95.0 2.0 105.0 4.8 106.0 3.0 107.0 3.7 109.0 1.2 119.0 2.3 120.0 3.1 121.0 32.3 122.0 3.8 123.0 5.6 134.0 1.3 135.0 2.7 136.0 1.4 137.0 1.3 149.0 8.9 150.0 1.0 151.0 26.4 152.0 2.6 165.0 2.3 166.0 100.0 167.0 10.1 168.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O3 0.040 g : 0.5 ml CDCl3 3-methoxy-4-methylbenzoic acid 
Assign. Shift(ppm)
A 12.3 B 7.650 C 7.536 D 7.22 E 3.889 F 2.277
Hz ppm Int.1104.17 12.329 38 690.34 7.709 65 688.89 7.692 72 682.82 7.625 85 681.20 7.607 108 679.49 7.587 26 675.56 7.544 153 674.19 7.528 112 641.98 7.169 68 348.38 3.890 1000 204.05 2.279 561 199.10 2.224 25
in CDCl3
KBr disc
nujol mull
