87-24-1

鄰甲基苯甲酸乙酯(87-24-1)質(zhì)譜(MS)

產(chǎn)品名稱:鄰甲基苯甲酸乙酯

CAS:87-24-1

分子式:C10H12O2

分子量: 164.2

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

InChIKey: SOUAXOGPALPTTC-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C1=CC=CC=C1C

Mass

MS-NW-3647          
ethyl o-toluate
C10H12O2            (Mass of molecular ion:    164)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       1.3
      27.0       6.7
      28.0       1.6
      29.0       8.3
      38.0       1.7
      39.0      12.2
      40.0       1.0
      41.0       3.2
      43.0       1.0
      45.0       1.1
      50.0       2.7
      51.0       6.0
      52.0       1.3
      53.0       1.2
      62.0       2.6
      63.0       8.1
      64.0       2.8
      65.0      24.6
      66.0       1.5
      77.0       6.6
      79.0       6.0
      89.0       8.8
      90.0      21.6
      91.0      62.2
      92.0       6.5
     105.0       2.1
     107.0       1.4
     118.0      68.1
     119.0     100.0
     120.0      11.1
     121.0       1.0
     131.0       1.5
     133.0       1.0
     135.0      25.4
     136.0      10.5
     137.0       1.0
     149.0       3.3
     163.0       1.5
     164.0      45.0
     165.0       5.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₂	10.7 mol% in CDCl₃
ethyl o-toluate

    Assign.     Shift(ppm)

      A             1.367
      B             4.333
      C             2.590
      D          7.47 to 7.08
      E             7.891

     Hz     ppm     Int.

    712.44   7.955     70
    710.31   7.932     75
    708.13   7.907     44
    704.25   7.864     78
    702.63   7.846    116
    661.00   7.381     36
    660.19   7.372     62
    659.44   7.364     42
    658.13   7.349     60
    656.31   7.329     45
    653.63   7.299    215
    651.56   7.276    182
    650.44   7.263    161
    650.06   7.259    150
    648.25   7.239    141
    647.69   7.232    126
    646.63   7.221    138
    646.06   7.214    146
    645.56   7.209    120
    644.94   7.202    108
    644.38   7.195    115
    643.88   7.190     97
    641.75   7.166     59
    641.00   7.158     63
    640.31   7.150     51
    639.25   7.138     37
    638.75   7.133     39
    399.00   4.456    128
    391.81   4.375    459
    384.69   4.296    482
    377.69   4.218    153
    231.94   2.590    971
    129.31   1.444    491
    122.25   1.366   1000
    115.06   1.285    434

in CDCl3