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网站主页CAS数据库列表 591-12-8更多图谱当归内酯(591-12-8)核磁图(1HNMR)

当归内酯

产品名称 当归内酯

CAS号591-12-8

分子式C5H6O2

分子量98.1

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  • Mass

    MS-NW-5756          
    3-penten-4-olide
    C5H6O2              (Mass of molecular ion:     98)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       2.2
          15.0       8.3
          25.0       1.5
          26.0      10.0
          27.0      30.7
          28.0       5.0
          29.0       1.9
          37.0       2.4
          38.0       2.3
          39.0      11.0
          40.0       2.1
          41.0       4.7
          41.5       1.3
          42.0       8.5
          43.0      78.5
          44.0       3.5
          49.0       1.1
          50.0       3.4
          51.0       2.3
          52.0       1.7
          53.0       3.6
          54.0       3.6
          55.0     100.0
          56.0       4.7
          69.0       4.1
          70.0      14.2
          71.0       1.0
          82.0       2.5
          83.0       1.6
          97.0       1.5
          98.0      93.2
          99.0       6.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H6 O2 0.04 ml : 0.5 ml CDCl3
    3-penten-4-olide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.138 B 3.173 C 2.000

         Hz     ppm     Int.
    

        464.81   5.190     43
        463.31   5.174    141
        462.50   5.165    102
        461.81   5.157    151
        460.94   5.147    276
        460.25   5.140     98
        459.44   5.130    299
        458.63   5.121    165
        457.94   5.114    109
        457.13   5.105    152
        455.63   5.088     48
        289.31   3.231    141
        286.69   3.202    485
        284.31   3.175    639
        281.75   3.146    548
        279.19   3.118    166
        182.38   2.037    510
        180.88   2.020    521
        179.81   2.008    977
        178.25   1.991   1000
        177.19   1.979    463
        175.69   1.962    459
    

in CDCl3



liquid film