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592-34-7

氯甲酸丁酯(592-34-7)Raman光谱

产品名称:氯甲酸丁酯

CAS:592-34-7

分子式:C5H9ClO2

分子量: 136.58

InChI:InChI=1S/C5H9ClO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3

InChIKey: NRDQFWXVTPZZAZ-UHFFFAOYSA-N

Smiles:C(Cl)(OCCCC)=O

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    Mass

    MS-NW-1114          
    butyl chloroformate
    C5H9ClO2            (Mass of molecular ion:    136)
    

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

          15.0       1.2
          18.0       1.0
          26.0       2.2
          27.0      16.7
          28.0       5.0
          29.0      25.5
          31.0       1.8
          39.0       8.1
          40.0       2.4
          41.0      55.3
          42.0       4.5
          43.0      17.5
          44.0       5.0
          55.0      10.9
          56.0     100.0
          57.0      33.1
          58.0       1.6
          63.0      19.2
          65.0       6.5
          73.0       1.0
          93.0       3.3
          95.0       1.2
         107.0       1.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H9 Cl O2 0.04 ml : 0.5 ml CDCl3
    butyl chloroformate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.325 B 1.68 C 1.41 D 0.96

         Hz     ppm     Int.
    

        394.13   4.401    395
        387.75   4.330   1000
        381.25   4.257    518
        154.63   1.727    215
        153.69   1.717    159
        148.06   1.654    225
        147.50   1.647    203
        141.63   1.582    213
        137.25   1.533    170
        131.88   1.473    178
        129.88   1.451    199
        125.81   1.405    160
        123.06   1.375    205
        116.44   1.301    178
         93.31   1.042    277
         92.25   1.031    454
         91.63   1.024    424
         85.75   0.958    916
         84.31   0.942    368
         78.31   0.875    207
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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