Methyl 4-methylbenzoate(99-75-2) IR3

Product NameMethyl 4-methylbenzoate

CAS 99-75-2

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

Request For Quotation

Methyl 4-methylbenzoate(99-75-2) IR3
Mass

MS-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

Methyl 4-methylbenzoate(99-75-2) IR3

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