94-08-6

对甲基苯甲酸乙酯(94-08-6)Raman光谱

产品名称:对甲基苯甲酸乙酯

CAS:94-08-6

分子式:C10H12O2

分子量: 164.2

InChI:InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey: NWPWRAWAUYIELB-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C1=CC=C(C)C=C1

Mass

MS-NW-3776          
ethyl p-toluate
C10H12O2            (Mass of molecular ion:    164)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       3.1
      29.0       3.2
      39.0       5.1
      41.0       1.6
      50.0       1.4
      51.0       2.4
      62.0       1.2
      63.0       3.8
      64.0       1.1
      65.0      12.4
      77.0       1.1
      89.0       3.6
      90.0       2.6
      91.0      33.9
      92.0       3.9
     105.0       1.1
     119.0     100.0
     120.0      11.1
     136.0      24.9
     137.0       2.4
     149.0       2.8
     163.0       1.0
     164.0      21.5
     165.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl p-toluate

    Assign.     Shift(ppm)

      A             7.92
      B             7.22
      C             4.350
      D             2.39
      E             1.378

     Hz     ppm     Int.

    716.13   7.997     30
    714.38   7.977    243
    712.69   7.958     89
    707.88   7.904     88
    706.13   7.885    321
    704.38   7.865     59
    652.25   7.283     33
    650.50   7.264    211
    649.81   7.256    267
    648.50   7.241    105
    647.81   7.234     76
    643.88   7.190     54
    643.19   7.182     79
    642.56   7.175    136
    641.94   7.168    206
    641.25   7.161    176
    639.50   7.141     32
    400.56   4.473    127
    393.44   4.394    468
    386.31   4.314    494
    379.19   4.234    148
    214.00   2.390    848
    130.25   1.455    485
    123.25   1.377   1000
    116.06   1.296    427

in CDCl3