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920-37-6

2-氯丙烯腈(920-37-6)核磁图(1HNMR)

产品名称:2-氯丙烯腈

CAS:920-37-6

分子式:C3H2ClN

分子量: 87.51

InChI:InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2

InChIKey: OYUNTGBISCIYPW-UHFFFAOYSA-N

Smiles:C(#N)C(Cl)=C

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    Mass

    MS-NW-0829          
    2-chloroacrylonitrile
    C3H2ClN             (Mass of molecular ion:     87)
    

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

          24.0       1.7
          25.0       4.6
          26.0      12.7
          35.0       2.9
          36.0       1.6
          37.0       2.4
          38.0       2.9
          47.0       1.8
          49.0       2.6
          50.0       5.1
          51.0      29.8
          52.0     100.0
          53.0       3.5
          60.0      11.0
          61.0       2.8
          62.0       4.0
          86.0       2.5
          87.0      91.7
          88.0       5.3
          89.0      30.0
          90.0       1.3
    

90 MHz in CDCl3

parameter in benzene

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    1H NMR 89.56 MHz
    C3 H2 Cl N 0.04 ml : 0.5 ml CDCl3
    2-chloroacrylonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 6.242 B *1 6.150 J(A,B)=2.5HZ.

         Hz     ppm     Int.
    

        560.56   6.260    553
        558.13   6.232    956
        551.75   6.161   1000
        549.25   6.133    606
    

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    1H NMR 300 MHz
    C3 H2 Cl N in benzene
    2-chloroacrylonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.875 D(B) 4.925 J(A,B) 2.59 WATTS,V.S. & GOLDSTEIN,J.H. J.MOL.SPECTROSC. 21, 260 (1966)

         Hz     ppm     Int.
    

       1478.90   4.930    719
       1476.32   4.921   1000
       1463.68   4.879   1000
       1461.10   4.870    719
    

in CDCl3

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CCl4 solution

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liquid film

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