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14205-39-1

3-氨基巴豆酸甲酯(14205-39-1)核磁图(13CNMR)

分子式:C5H9NO2

分子量: 115.13

InChI:InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3

InChIKey: XKORCTIIRYKLLG-UHFFFAOYSA-N

Smiles:C(OC)(=O)C=C(N)C

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    Mass

    MS-NW-8739          
    methyl 3-aminocrotonate
    C5H9NO2             (Mass of molecular ion:    115)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       3.9
          27.0       3.1
          28.0      16.3
          29.0       4.7
          30.0       4.9
          31.0       1.2
          38.0       1.1
          39.0       4.1
          40.0       3.6
          41.0       9.3
          42.0      37.3
          43.0       4.3
          44.0       3.3
          52.0       1.4
          54.0       4.8
          55.0       4.7
          56.0       1.8
          57.0      12.3
          59.0       1.7
          67.0       1.4
          68.0       8.9
          74.0       1.5
          82.0       1.3
          83.0      27.5
          84.0     100.0
          85.0       5.1
         115.0      40.1
         116.0       2.6
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H9 N O2 0.048 g : 0.5 ml CDCl3
    methyl 3-aminocrotonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.52 B 3.636 C 1.903 NH2-PEAK WAS NOT OBSERVED. 400MHZ. : HSP-40-129

         Hz     ppm     Int.
    

        405.19   4.525    123
        404.75   4.520    121
        325.63   3.636   1000
        170.63   1.906    582
    

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    1H NMR 399.65 MHz
    C5 H9 N O2 0.048 g : 0.5 ml CDCl3
    methyl 3-aminocrotonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.9 B 4.522 C 3.636 D 1.904 90MHZ. : HSP-03-526

         Hz     ppm     Int.
    

       1807.37   4.523    176
       1806.88   4.522    176
       1459.23   3.652     39
       1453.37   3.637   1000
        761.23   1.905    686
    

in CDCl3

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KBr disc

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nujol mull

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