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144-48-9

2-碘乙酰胺(144-48-9)Raman光谱

产品名称:2-碘乙酰胺

CAS:144-48-9

分子式:C2H4INO

分子量: 184.96

InChI:InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)

InChIKey: PGLTVOMIXTUURA-UHFFFAOYSA-N

Smiles:C(N)(=O)CI

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    Mass

    MS-NW-5004          
    iodoacetamide
    C2H4INO             (Mass of molecular ion:    185)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          12.0       2.8
          13.0       4.8
          14.0      18.6
          15.0      13.1
          16.0       6.1
          17.0       2.7
          18.0       5.0
          26.0       1.6
          27.0       4.5
          28.0      25.9
          29.0       5.1
          30.0      49.2
          31.0       1.2
          38.0       2.5
          39.0       3.0
          40.0      11.6
          41.0       8.6
          42.0      59.4
          43.0       4.8
          44.0      48.8
          58.0     100.0
          59.0       3.5
         127.0      27.3
         128.0       5.0
         139.0       1.4
         140.0       2.2
         141.0      11.5
         142.0      14.8
         143.0       1.3
         167.0       3.0
         168.0       1.6
         169.0       1.8
         185.0      22.7
    

400 MHz in DMSO-d6

parameter in D20

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    1H NMR 399.65 MHz
    C2 H4 I N O 0.035 g : 0.5 ml DMSO-d6
    iodoacetamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.64 B *1 7.08 C 3.578

         Hz     ppm     Int.
    

       3055.54   7.646     60
       2828.86   7.079     69
       1430.66   3.580   1000
       1429.81   3.578    944
    

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    1H NMR 300 MHz
    C2 H4 I N O 0.046 g : 0.5 ml D2O
    iodoacetamide
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.779

         Hz     ppm     Int.
    

       1133.70   3.779   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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GAMMA-RAY IRRAD. AT 77K

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