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6962-92-1

4-氯丁醇醋酸酯(6962-92-1)Raman光谱

产品名称:4-氯丁醇醋酸酯

CAS:6962-92-1

分子式:C6H11ClO2

分子量: 150.6

InChI:InChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3

InChIKey: PYLDCZJUHYVOAF-UHFFFAOYSA-N

Smiles:C(OC(=O)C)CCCCl

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    Mass

    MS-IW-9136          
    4-chlorobutyl acetate
    C6H11ClO2           (Mass of molecular ion:    150)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.7
          27.0       4.6
          28.0       1.9
          29.0       3.7
          39.0       3.7
          41.0       6.5
          42.0       5.2
          43.0     100.0
          44.0       2.9
          49.0       1.1
          53.0       1.4
          54.0      28.4
          55.0      20.5
          58.0       3.8
          61.0      13.1
          62.0       2.7
          71.0       2.5
          73.0      14.3
          87.0       1.3
          90.0       4.9
          91.0       1.1
          92.0       1.6
         107.0       3.4
         109.0       1.0
         115.0       1.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H11 Cl O2 0.05 ml : 0.5 ml CDCl3
    4-chlorobutyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.101 B 3.579 C 2.054 D 1.85 E 1.81

         Hz     ppm     Int.
    

       1645.51   4.118    227
       1639.28   4.102    362
       1633.06   4.087    185
       1436.52   3.595    208
       1430.30   3.579    391
       1423.83   3.563    247
        821.04   2.055   1000
        817.26   2.045     49
        752.81   1.884     57
        751.95   1.882     62
        750.37   1.878     74
        747.68   1.871     72
        746.83   1.869     61
        745.24   1.865     89
        743.77   1.862    134
        741.21   1.855    121
        738.77   1.849     65
        737.43   1.846    137
        736.21   1.843    114
        734.74   1.839     76
        731.57   1.831    115
        730.22   1.828    116
        726.93   1.819     71
        725.59   1.816    111
        724.37   1.813    131
        723.02   1.810     67
        720.58   1.804    102
        718.14   1.797    124
        716.55   1.793     79
        715.09   1.790     57
        714.23   1.788     62
        711.55   1.781     67
        709.96   1.777     52
        708.98   1.775     52
    

in CDCl3

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liquid film

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