87-41-2

苯酞(87-41-2)質(zhì)譜(MS)

產(chǎn)品名稱:苯酞

CAS:87-41-2

分子式:C8H6O2

分子量: 134.13

InChI:InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2

InChIKey: WNZQDUSMALZDQF-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)CO1

Mass

MS-NW-8708          
phthalide
C8H6O2              (Mass of molecular ion:    134)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.0
      37.0       1.5
      38.0       2.8
      39.0       2.7
      50.0       9.1
      51.0      11.6
      52.0       2.6
      61.0       1.0
      62.0       1.7
      63.0       3.2
      66.0       1.9
      74.0       3.4
      75.0       2.8
      76.0       9.1
      77.0      41.3
      78.0       3.7
      89.0       1.7
     104.0       2.5
     105.0     100.0
     106.0       7.8
     133.0      11.6
     134.0      32.5
     135.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₆ O₂	0.040 g : 0.5 ml CDCl₃
phthalide

    Assign.     Shift(ppm)

      A             7.91
      B             7.68
      C             7.60
      D             7.50
      E             5.33

     Hz     ppm     Int.

    712.81   7.960    132
    711.44   7.944    108
    711.00   7.939    100
    710.50   7.934     94
    709.31   7.920     39
    708.19   7.908     58
    704.75   7.870    204
    703.75   7.858    197
    703.19   7.852    204
    698.69   7.802     49
    697.31   7.786     66
    693.06   7.739     34
    691.44   7.721    153
    690.56   7.711     79
    689.56   7.700    120
    687.25   7.674     96
    684.56   7.644    396
    682.81   7.625    305
    681.94   7.615    110
    680.13   7.595    271
    678.13   7.572    148
    677.31   7.563    252
    676.50   7.554    239
    675.63   7.544    285
    674.69   7.534    234
    673.81   7.524    221
    673.06   7.516    134
    672.25   7.507     77
    671.38   7.497     48
    670.44   7.486     95
    669.50   7.476    137
    668.63   7.466    119
    667.94   7.459     74
    667.00   7.448     52
    666.19   7.439     51
    665.50   7.431     64
    664.88   7.424     41
    477.25   5.329   1000

in CDCl3