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Back ChemicalBook Home>CAS DataBase List>7463-31-2More Spectrum> 3'-Acetamidoacetophenone(7463-31-2) IR1

3'-Acetamidoacetophenone(7463-31-2) IR1

Molecular FormulaC10H11NO2

Molecular Weight177.2

InChIInChI=1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)

InChIKey AFZTYHRVDOKRKV-UHFFFAOYSA-N

SmilesC(NC1=CC=CC(C(C)=O)=C1)(=O)C


  • Mass

    MS-IW-3759          
    3'-acetylacetanilide
    C10H11NO2           (Mass of molecular ion:    177)
    

       Source Temperature: 150 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       1.7
          28.0       1.2
          38.0       1.3
          39.0       3.2
          41.0       1.0
          42.0       1.1
          43.0      38.8
          50.0       1.6
          51.0       2.0
          52.0       1.6
          62.0       1.2
          63.0       4.6
          64.0       4.2
          65.0      11.0
          66.0       1.7
          76.0       1.3
          77.0       2.6
          79.0       1.1
          90.0       1.5
          91.0       4.6
          92.0      26.1
          93.0       5.2
         106.0       1.9
         108.0       1.1
         119.0       1.5
         120.0     100.0
         121.0       8.2
         134.0       6.0
         135.0      70.9
         136.0       6.6
         162.0       6.8
         177.0      73.0
         178.0       8.4
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H11 N O2 0.033 g : 0.5 ml CDCl3
    3'-acetylacetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.71 B 8.084 C 7.981 D 7.663 E 7.400 F 2.586 G 2.224

         Hz     ppm     Int.
    

       3479.13   8.706     71
       3232.54   8.089    101
       3230.83   8.085    150
       3229.25   8.081    106
       3194.58   7.994     74
       3193.36   7.991     69
       3186.52   7.974     76
       3185.30   7.971     72
       3066.77   7.674     85
       3058.96   7.655     93
       2964.84   7.419     82
       2956.91   7.399    136
       2948.97   7.379     65
       1033.81   2.587   1000
        888.92   2.225    822
    

in CDCl3



KBr disc



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