Product Name3,5-Dimethylbenzoic acid
CAS499-06-9
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey UMVOQQDNEYOJOK-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(C)=CC(C)=C1
Mass
MS-NW-2320 3,5-dimethylbenzoic acid C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 300 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 2.2 18.0 4.8 27.0 6.3 28.0 7.2 38.0 2.0 39.0 11.8 40.0 1.3 41.0 2.1 43.0 1.7 45.0 2.1 50.0 3.9 51.0 11.0 52.0 3.1 53.0 4.5 62.0 2.8 63.0 6.7 64.0 1.6 65.0 5.3 66.0 2.1 74.0 2.3 75.0 1.6 76.0 1.2 77.0 23.1 78.0 8.0 79.0 14.5 80.0 1.1 89.0 2.3 91.0 34.4 92.0 2.8 102.0 1.7 103.0 11.5 104.0 11.5 105.0 99.9 106.0 12.0 107.0 2.8 121.0 1.4 132.0 5.3 133.0 36.0 134.0 3.8 135.0 10.0 136.0 1.0 149.0 7.0 150.0 100.0 151.0 10.0
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C9 H10 O2 | 0.045 g : 0.5 ml CDCl3 |
3,5-dimethylbenzoic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
1129.30 12.610 24 693.33 7.742 169 692.65 7.734 181 692.22 7.730 188 691.63 7.723 193 647.45 7.230 81 646.77 7.222 92 646.08 7.214 79 212.17 2.370 970 211.57 2.363 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
3,5-Dimethylbenzoic acid(499-06-9) IR1 Atlas of Related Products
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