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543-27-1

氯甲酸异丁酯(543-27-1)核磁图(1HNMR)

产品名称:氯甲酸异丁酯

CAS:543-27-1

分子式:C5H9ClO2

分子量: 136.58

InChI:InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3

InChIKey: YOETUEMZNOLGDB-UHFFFAOYSA-N

Smiles:C(Cl)(OCC(C)C)=O

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    Mass

    MS-IW-3856          
    isobutyl chloroformate
    C5H9ClO2            (Mass of molecular ion:    136)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.6
          26.0       1.6
          27.0      21.0
          28.0       4.9
          29.0      21.0
          31.0       4.4
          36.0       1.9
          38.0       1.9
          39.0      15.0
          40.0       3.0
          41.0      71.5
          42.0      16.8
          43.0     100.0
          44.0       6.7
          53.0       1.0
          55.0       8.6
          56.0      76.3
          57.0      33.3
          58.0       1.7
          59.0       1.0
          63.0      37.9
          65.0      12.3
          93.0       1.7
          94.0       8.3
          95.0       4.1
          96.0       2.7
          97.0       1.1
    

parameter in CDCl3

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    1H NMR 300 MHz
    C5 H9 Cl O2 10.5 mol% in CDCl3
    isobutyl chloroformate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.107 D(B) 2.046 D(C) 0.981 J(A,B) 6.68 J(A,C) 0.0 J(B,C) 6.67

         Hz     ppm     Int.
    

       1235.48   4.118    335
       1228.79   4.096    343
        627.27   2.091     32
        620.61   2.069     62
        613.94   2.046     79
        607.25   2.024     65
        600.62   2.002     35
        593.95   1.980     11
        297.61   0.992   1000
        290.95   0.970    957
    

in CDCl3

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liquid film

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