2,6-Dimethylbenzoic acid(632-46-2) MS
Product Name2,6-Dimethylbenzoic acid
CAS632-46-2
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey HCBHQDKBSKYGCK-UHFFFAOYSA-N
SmilesC(O)(=O)C1=C(C)C=CC=C1C
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MassMS-NW-6510 2,6-dimethylbenzoic acid C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.7 27.0 6.2 38.0 2.4 39.0 11.9 40.0 1.2 41.0 2.2 43.0 2.1 44.0 1.4 45.0 1.7 50.0 4.9 51.0 15.0 51.5 1.2 52.0 4.4 53.0 4.5 61.0 1.3 62.0 3.1 63.0 7.0 64.0 1.7 65.0 5.8 65.5 1.1 66.0 4.5 74.0 2.4 75.0 2.3 76.0 1.9 77.0 23.2 78.0 16.1 79.0 12.2 89.0 2.4 90.0 1.2 91.0 13.1 92.0 1.3 102.0 2.7 103.0 18.3 104.0 52.3 105.0 41.1 106.0 4.8 107.0 1.1 119.0 1.3 132.0 100.0 133.0 25.2 134.0 2.4 135.0 3.8 149.0 2.8 150.0 80.0 151.0 8.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O2 0.039 g : 0.5 ml CDCl3 2,6-dimethylbenzoic acid 
Assign. Shift(ppm)
A 11.90 B 7.217 C 7.07 D 2.446
Hz ppm Int.1065.55 11.898 40 650.18 7.260 36 646.25 7.216 46 640.95 7.157 136 635.31 7.094 159 634.80 7.088 157 630.10 7.036 31 629.42 7.028 41 628.65 7.020 33 626.17 6.992 31 221.48 2.473 23 219.18 2.448 1000
in CDCl3
KBr disc
nujol mull
