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5429-56-1

2-乙酰氨基丙烯酸(5429-56-1)核磁图(1HNMR)

分子式:C5H7NO3

分子量: 129.11

InChI:InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)

InChIKey: UFDFFEMHDKXMBG-UHFFFAOYSA-N

Smiles:C(O)(=O)C(NC(C)=O)=C

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    Mass

    MS-NW-6214          
    2-acetamidoacrylic acid
    C5H7NO3             (Mass of molecular ion:    129)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       3.2
          15.0      14.4
          16.0       1.7
          17.0       2.0
          18.0       8.8
          26.0       1.8
          27.0       3.1
          28.0       1.9
          29.0       1.8
          38.0       1.0
          39.0       1.6
          40.0       5.3
          41.0      22.1
          42.0      33.7
          43.0     100.0
          44.0      32.2
          45.0       5.1
          54.0       1.0
          57.0       1.0
          59.0       9.0
          60.0       2.0
          68.0       1.2
          69.0       1.8
          83.0       1.5
          85.0       7.2
          86.0       1.8
          87.0      41.3
          88.0       2.0
         101.0       1.8
         111.0      12.7
         112.0       1.4
         129.0      12.1
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C5 H7 N O3 0.038 g : 0.5 ml DMSO-d6
    2-acetamidoacrylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.0 B 9.106 C *1 6.253 D *1 5.675 E 2.034

         Hz     ppm     Int.
    

       3639.25   9.107     60
       2499.68   6.255    163
       2268.90   5.678    177
        813.28   2.035   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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