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122-80-5

4-氨基乙酰苯胺(122-80-5)质谱(MS)

产品名称:4-氨基乙酰苯胺

CAS:122-80-5

分子式:C8H10N2O

分子量: 150.18

InChI:InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)

InChIKey: CHMBIJAOCISYEW-UHFFFAOYSA-N

Smiles:C(NC1=CC=C(N)C=C1)(=O)C

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    Mass

    MS-NW-1717          
    4'-aminoacetanilide
    C8H10N2O            (Mass of molecular ion:    150)
    

       Source Temperature: 190 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       3.0
          18.0       2.0
          27.0       2.0
          28.0       5.1
          39.0       2.8
          41.0       1.8
          42.0       1.4
          43.0      12.1
          51.0       2.1
          52.0       7.5
          53.0      10.6
          54.0       3.8
          55.0       1.0
          63.0       1.8
          64.0       1.1
          65.0       2.3
          67.0       1.2
          78.0       1.6
          79.0       3.2
          80.0      23.7
          81.0       9.0
          90.0       1.1
          91.0       1.5
         105.0       2.0
         106.0       2.5
         107.0      35.2
         108.0     100.0
         109.0       9.1
         134.0       1.0
         150.0      61.8
         151.0       5.9
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C8 H10 N2 O 0.044 g : 0.5 ml DMSO-d6
    4'-aminoacetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.47 B 7.20 C 6.50 D 4.78 E 1.960

         Hz     ppm     Int.
    

        847.94   9.468     78
        649.44   7.252    201
        647.38   7.229     72
        642.69   7.177     76
        640.69   7.154    265
        637.81   7.122     36
        588.94   6.576     33
        586.06   6.544    299
        583.88   6.520     86
        579.31   6.469     75
        577.25   6.446    220
        574.31   6.413     24
        428.06   4.780    207
        175.50   1.960   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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