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网站主页CAS数据库列表 104-50-7更多图谱丙位辛内酯(104-50-7)质谱(MS)

丙位辛内酯

产品名称 丙位辛内酯

CAS号104-50-7

分子式C8H14O2

分子量142.2

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  • Mass

    MS-NW-1566          
    4-octanolide
    C8H14O2             (Mass of molecular ion:    142)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       7.5
          28.0       5.4
          29.0      20.1
          39.0       3.8
          41.0       8.3
          42.0       4.3
          43.0       1.7
          44.0       1.6
          54.0       1.0
          55.0       5.2
          56.0       6.7
          57.0       6.3
          58.0       1.1
          69.0       2.9
          70.0       3.1
          72.0       1.9
          82.0       1.1
          84.0       1.1
          85.0     100.0
          86.0       4.6
          87.0       1.6
          96.0       1.1
          99.0       1.1
         100.0       5.4
         114.0       1.5
         124.0       1.6
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H14 O2 0.05 ml : 0.5 ml CDCl3
    4-octanolide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.497 B *1 2.536 C *1 2.520 D *2 2.343 E *2 1.865 F *3 1.735 G *4 1.611 J *4 1.44 K *3 1.41 to 1.33 L 0.918 J(B,C)=9.6HZ ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       1811.28   4.533     80
       1805.66   4.519    108
       1804.57   4.516    123
       1803.59   4.513    144
       1799.07   4.502    128
       1797.49   4.498    197
       1795.90   4.494    123
       1791.26   4.483    153
       1790.16   4.480    124
       1789.31   4.478    109
       1783.69   4.464     86
       1019.53   2.552    372
       1017.94   2.548    340
       1011.84   2.532    773
       1009.89   2.527    430
       1008.54   2.524    392
       1002.32   2.508    670
        953.00   2.385    119
        946.90   2.370    145
        946.41   2.369    151
        945.31   2.366    110
        940.31   2.353    241
        939.21   2.351    139
        938.84   2.350    137
        934.20   2.338    176
        933.72   2.337    182
        932.62   2.334    192
        927.61   2.322    138
        926.15   2.318    148
        920.04   2.303     95
        764.53   1.913    115
        756.47   1.893    128
        755.13   1.890    181
        751.83   1.882    104
        747.07   1.870    176
        745.48   1.866    121
        743.77   1.862    120
        742.31   1.858    167
        737.43   1.846    100
        734.25   1.838    160
        732.79   1.834     99
        724.73   1.814     84
        704.35   1.763     75
        700.44   1.753     80
        699.10   1.750     85
        696.78   1.744     80
        695.43   1.741     99
        692.87   1.734     84
        691.28   1.730    100
        690.67   1.729    104
        687.99   1.722     95
        686.77   1.719     79
        685.30   1.715    100
        683.11   1.710     84
        677.86   1.697     78
        656.01   1.642    116
        650.51   1.628    112
        646.12   1.617    134
        643.92   1.612     67
        642.33   1.608    101
        640.50   1.603    100
        638.31   1.598     76
        636.84   1.594     68
        632.57   1.583    108
        626.95   1.569     74
        587.28   1.470     88
        584.72   1.464     74
        582.28   1.457     69
        581.05   1.454     70
        579.47   1.450    133
        577.39   1.445     76
        574.71   1.439     94
        573.49   1.435     85
        572.39   1.433     80
        571.41   1.430     71
        569.58   1.426    104
        568.85   1.424     90
        568.12   1.422    105
        566.65   1.418     62
        562.50   1.408    174
        558.72   1.399    160
        556.40   1.393    235
        554.93   1.389    215
        550.78   1.379    262
        549.56   1.376    332
        547.85   1.371    276
        545.41   1.365    345
        542.97   1.359    261
        540.53   1.353    280
        538.09   1.347    158
        536.25   1.342    166
        533.57   1.336    131
        531.62   1.331     79
        528.69   1.323     53
        373.90   0.936    553
        371.22   0.929    193
        367.07   0.919   1000
        359.62   0.900    485
    


  • 1H NMR 89.56 MHz
    C8 H14 O2 0.04 ml : 0.5 ml CDCl3
    4-octanolide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.50 B 2.54 C 2.33 D 1.86 E *1 1.75 F *1 1.61 G 1.44 J 1.37 K 0.92 THE SHIFT VALUES WERE OBTAINED AT 400MHZ. 400MHZ : HSP-43-009

         Hz     ppm     Int.
    

        403.38   4.505    165
        402.25   4.492    136
        397.06   4.434    131
        236.69   2.643    239
        234.44   2.618    270
        229.56   2.564    430
        228.63   2.553    551
        227.38   2.539    200
        225.06   2.513    212
        223.50   2.496    213
        220.81   2.466    974
        219.25   2.449    535
        217.38   2.428    300
        211.44   2.361    226
        205.81   2.299    217
        205.38   2.294    234
        204.31   2.282    166
        199.50   2.228    170
        198.63   2.218    155
        198.25   2.214    152
        175.88   1.964    253
        173.00   1.932    137
        172.00   1.921    147
        167.69   1.873    183
        165.69   1.851    220
        164.06   1.832    194
        162.44   1.814    151
        158.75   1.773    129
        157.44   1.758    179
        156.63   1.749    160
        154.63   1.727    247
        153.75   1.717    195
        152.88   1.708    187
        151.31   1.690    215
        151.00   1.687    213
        148.69   1.661    187
        147.81   1.651    194
        146.38   1.635    241
        145.19   1.622    288
        142.69   1.594    176
        142.06   1.587    177
        140.19   1.566    214
        139.50   1.558    231
        138.31   1.545    170
        136.94   1.530    130
        127.13   1.420    512
        122.38   1.367    441
         88.69   0.991    330
         84.25   0.941    319
         82.25   0.919   1000
         76.31   0.853    234
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid