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109-61-5

氯甲酸丙酯(109-61-5)核磁图(13CNMR)

产品名称:氯甲酸丙酯

CAS:109-61-5

分子式:C4H7ClO2

分子量: 122.55

InChI:InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3

InChIKey: QQKDTTWZXHEGAQ-UHFFFAOYSA-N

Smiles:C(Cl)(OCCC)=O

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    Mass

    MS-NW-0979          
    propyl chloroformate
    C4H7ClO2            (Mass of molecular ion:    122)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.1
          26.0       3.6
          27.0      26.8
          28.0       6.1
          29.0      11.7
          30.0       2.2
          31.0       6.5
          35.0       1.5
          36.0       2.5
          37.0       1.0
          38.0       1.7
          39.0       9.0
          40.0       3.6
          41.0      32.1
          42.0     100.0
          43.0      71.8
          44.0       7.2
          57.0       2.8
          59.0       5.6
          63.0      48.6
          65.0      15.7
          81.0       1.0
          93.0      15.3
          95.0       5.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H7 Cl O2 0.02 ml : 0.5 ml CDCl3
    propyl chloroformate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.284 B 1.759 C 0.998

         Hz     ppm     Int.
    

        390.31   4.359    436
        383.75   4.285    901
        377.13   4.211    480
        162.19   1.811    221
        155.63   1.738    176
        154.63   1.727    265
        147.81   1.651    190
         96.50   1.078    287
         95.88   1.071    480
         88.94   0.994   1000
         88.25   0.986    526
         81.81   0.914    187
         81.19   0.907    287
         80.25   0.897    158
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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