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590-13-6

顺-1-溴-1-丙烯(590-13-6)核磁图(13CNMR)

产品名称:顺-1-溴-1-丙烯

CAS:590-13-6

分子式:C3H5Br

分子量: 120.98

InChI:InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2-

InChIKey: NNQDMQVWOWCVEM-IHWYPQMZSA-N

Smiles:C(/Br)=C/C

parameter in acetone

parameter in benzene

  • 图谱

    1H NMR 300 MHz
    C3 H5 Br 10 mol% in acetone
    cis-1-bromo-1-propene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.28 D(B) 6.23 D(C) 1.72 J(A,B) 6.9 J(A,C) -1.8 J(B,C) 6.6 HRUSKA,F. ET AL. CAN.J.CHEM. 45, 1081 (1967)

         Hz     ppm     Int.
    

       1890.58   6.302     63
       1888.94   6.296    150
       1887.59   6.292    113
       1883.68   6.279    111
       1882.04   6.273    318
       1880.60   6.269    452
       1874.79   6.249    325
       1868.58   6.229    304
       1861.73   6.206    174
       1855.30   6.184     55
        526.04   1.753     29
        519.88   1.733    659
        518.45   1.728   1000
        513.59   1.712    980
        512.15   1.707    638
        505.99   1.687     28
    

  • 图谱

    1H NMR 300 MHz
    C3 H5 Br 10 mol% in benzene
    cis-1-bromo-1-propene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.84 D(B) 5.66 D(C) 1.47 J(A,B) 7.0 J(A,C) -1.6 J(B,C) 6.5 HRUSKA,F. ET AL. CAN.J.CHEM. 45, 1081 (1967)

         Hz     ppm     Int.
    

       1758.09   5.860     85
       1756.49   5.855    224
       1754.98   5.850    221
       1753.42   5.845     86
       1751.09   5.837    109
       1749.53   5.832    285
       1747.98   5.827    289
       1746.42   5.821    112
       1710.99   5.703     91
       1704.52   5.682    288
       1698.01   5.660    337
       1691.13   5.637    240
       1684.62   5.615     73
        445.01   1.483    995
        443.45   1.478   1000
        438.58   1.462    992
        437.02   1.457    983
    

in CDCl3

  • 图谱

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