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100-44-7

氯化苄(100-44-7)质谱(MS)

产品名称:氯化苄

CAS:100-44-7

分子式:C7H7Cl

分子量: 126.58

InChI:InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey: KCXMKQUNVWSEMD-UHFFFAOYSA-N

Smiles:C1(CCl)=CC=CC=C1

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    Mass

    MS-NW-0069          
    benzyl chloride
    C7H7Cl              (Mass of molecular ion:    126)
    

       Source Temperature: 220 °C
       Sample Temperature:  55 °C
       Reservoir, 75 eV
    

          38.0       1.9
          39.0       6.8
          41.0       1.0
          45.0       1.1
          50.0       2.9
          51.0       3.8
          52.0       1.0
          61.0       1.2
          62.0       2.8
          63.0       7.0
          64.0       1.8
          65.0      10.8
          89.0       5.8
          90.0       2.5
          91.0     100.0
          92.0       7.8
         125.0       2.8
         126.0      24.9
         127.0       2.7
         128.0       7.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H7 Cl 0.04 ml : 0.5 ml CDCl3
    benzyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.46 to 7.22 B 4.563

         Hz     ppm     Int.
    

        664.63   7.422     34
        664.13   7.416     32
        662.31   7.396     25
        659.38   7.363    229
        657.31   7.340    967
        655.75   7.322    245
        653.13   7.293     59
        650.00   7.258     30
        649.44   7.252     33
        408.69   4.564   1000
    

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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REACTION WITH NA AT 77K

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