Methyl 4-methylbenzoate(99-75-2) MS
Product NameMethyl 4-methylbenzoate
CAS99-75-2
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
InChIKey QSSJZLPUHJDYKF-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC=C(C)C=C1
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MassMS-NW-0688 methyl p-toluate C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.6 28.0 2.9 39.0 6.3 41.0 1.8 50.0 2.2 51.0 3.0 62.0 1.9 63.0 4.9 64.0 1.3 65.0 12.7 74.0 1.0 89.0 4.4 90.0 3.0 91.0 39.9 92.0 3.3 105.0 1.2 119.0 100.0 120.0 9.3 149.0 1.5 150.0 33.6 151.0 3.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O2 0.054 g : 0.5 ml CDCl3 methyl p-toluate 
Assign. Shift(ppm)
A 7.92 B 7.23 C 3.886 D 2.394
Hz ppm Int.714.13 7.974 88 713.81 7.971 89 712.19 7.953 30 707.63 7.902 31 705.63 7.879 119 650.94 7.269 88 650.31 7.262 95 649.69 7.255 86 649.06 7.248 33 648.25 7.239 23 644.38 7.195 22 643.69 7.188 34 643.00 7.180 57 642.38 7.173 78 641.69 7.165 59 348.06 3.887 1000 214.19 2.392 319
in CDCl3
CCl4 solution
KBr disc
liquid film
4880 A,200 M,liquid
