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107-12-0

丙腈(107-12-0)核磁图(13CNMR)

产品名称:丙腈

CAS:107-12-0

分子式:C3H5N

分子量: 55.08

InChI:InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3

InChIKey: FVSKHRXBFJPNKK-UHFFFAOYSA-N

Smiles:C(#N)CC

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    Mass

    MS-NW-0774          
    propionitrile
    C3H5N               (Mass of molecular ion:     55)
    

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

          15.0       4.2
          25.0       1.8
          26.0      16.3
          27.0      14.7
          28.0     100.0
          29.0       2.6
          37.0       1.3
          38.0       2.1
          39.0       2.0
          40.0       4.2
          50.0       1.8
          51.0      10.2
          52.0      14.1
          53.0       8.8
          54.0      84.6
          55.0      15.6
          56.0       1.2
    

parameter in CDCl3

90 MHz in CDCl3

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    1H NMR 300 MHz
    C3 H5 N 10 vol% in CCl4
    propionitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.289 D(B) 2.311 J(A,B) 7.605 EBERSOLE,S. ET AL. J.PHYS.CHEM. 68, 3430 (1964)

         Hz     ppm     Int.
    

        704.84   2.349    146
        697.22   2.324    463
        689.62   2.299    486
        682.04   2.273    170
        394.21   1.314    509
        386.62   1.289   1000
        379.01   1.263    456
    

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    1H NMR 89.56 MHz
    C3 H5 N 10.1 mol% in CDCl3
    propionitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.30 B 2.36

         Hz     ppm     Int.
    

        223.63   2.497     99
        222.75   2.488     96
        215.44   2.406    364
        208.63   2.330    252
        207.81   2.321    443
        200.88   2.243    151
        200.06   2.234    137
        123.31   1.377    456
        116.06   1.296   1000
        115.50   1.290    603
        112.75   1.259     26
        108.19   1.209    316
        107.56   1.201    168
    

in CDCl3

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liquid film

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UV PHOTOLYSIS IN H2O2 AND H2O, 40C

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