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107-59-5

氯乙酸叔丁酯(107-59-5)Raman光谱

产品名称:氯乙酸叔丁酯

CAS:107-59-5

分子式:C6H11ClO2

分子量: 150.6

InChI:InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3

InChIKey: KUYMVWXKHQSIAS-UHFFFAOYSA-N

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

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    Mass

    MS-IW-3835          
    tert-butyl chloroacetate
    C6H11ClO2           (Mass of molecular ion:    150)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.3
          27.0       5.0
          28.0       1.5
          29.0      16.7
          31.0       1.7
          39.0       9.2
          40.0       1.6
          41.0      35.8
          42.0       5.1
          43.0       9.5
          49.0      14.8
          50.0       1.6
          51.0       5.0
          55.0       3.8
          56.0       9.0
          57.0      91.7
          58.0       5.4
          59.0     100.0
          60.0       4.5
          77.0      29.7
          78.0       1.0
          79.0       9.7
         135.0      28.4
         136.0       1.6
         137.0       9.3
    

parameter in CDCl3

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    1H NMR 300 MHz
    C6 H11 Cl O2 0.05 ml : 0.5 ml CDCl3
    tert-butyl chloroacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.977 D(B) 1.492

         Hz     ppm     Int.
    

       1193.11   3.977    637
        447.59   1.492   1000
    

in CDCl3

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liquid film

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