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126-98-7

甲基丙烯腈(126-98-7)核磁图(1HNMR)

产品名称:甲基丙烯腈

CAS:126-98-7

分子式:C4H5N

分子量: 67.09

InChI:InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3

InChIKey: GYCMBHHDWRMZGG-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0806          
    methacrylonitrile
    C4H5N               (Mass of molecular ion:     67)
    

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

          15.0       1.3
          26.0       3.1
          27.0      11.6
          28.0       5.0
          36.0       2.0
          37.0      13.7
          38.0      16.8
          39.0      45.7
          40.0      24.8
          41.0     100.0
          42.0       2.0
          50.0       2.3
          51.0      10.6
          52.0      23.9
          62.0       1.7
          63.0       4.0
          64.0       9.4
          65.0       3.1
          66.0      25.0
          67.0      65.3
          68.0       3.6
    

parameter in benzene-d6

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    1H NMR 300 MHz
    C4 H5 N 30 % in benzene-d6
    methacrylonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.450 D(B) 5.302 D(C) 1.612 J(A,B) 0.73 J(A,C) -1.20 J(B,C) -1.71 WENDISCH,D. Z.NATURFORSCH. 23 B, 616 (1968)

         Hz     ppm     Int.
    

       1635.96   5.453    246
       1635.17   5.451    293
       1634.06   5.447    248
       1593.50   5.312     82
       1592.75   5.309    100
       1591.82   5.306    222
       1591.11   5.304    229
       1590.10   5.300    235
       1589.46   5.298    220
       1588.46   5.295    101
       1587.74   5.292     82
        485.06   1.617    754
        483.77   1.613   1000
        483.45   1.611   1000
        482.16   1.607    751
    

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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