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Back ChemicalBook Home>CAS DataBase List>102-01-2More Spectrum> Acetoacetanilide(102-01-2) IR2

Acetoacetanilide(102-01-2) IR2

Product NameAcetoacetanilide

CAS102-01-2

Molecular FormulaC10H11NO2

Molecular Weight177.2

InChIInChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)

InChIKey DYRDKSSFIWVSNM-UHFFFAOYSA-N

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


  • Mass

    MS-NW-0185          
    acetoacetanilide
    C10H11NO2           (Mass of molecular ion:    177)
    

       Source Temperature: 160 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          15.0       1.6
          27.0       1.2
          38.0       1.3
          39.0       5.9
          42.0       1.3
          43.0      23.3
          50.0       1.0
          51.0       3.4
          52.0       1.1
          58.0       6.7
          63.0       2.2
          64.0       2.5
          65.0       8.8
          66.0       6.3
          77.0       5.5
          85.0       3.1
          91.0       2.9
          92.0       4.4
          93.0     100.0
          94.0       7.5
         106.0       1.5
         119.0       8.7
         120.0       1.4
         134.0       1.6
         177.0      38.6
         178.0       4.7
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H11 N O2 0.038 g : 0.5 ml CDCl3
    acetoacetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.20 B 7.534 C 7.307 D 7.111 E 3.557 F 2.286

         Hz     ppm     Int.
    

       3675.84   9.198     39
       3016.66   7.549    157
       3015.44   7.546    190
       3013.46   7.541     63
       3007.97   7.527    210
       3006.90   7.524    195
       3004.76   7.519     33
       2929.84   7.332     33
       2928.01   7.327    147
       2926.03   7.322     58
       2920.53   7.308    210
       2913.97   7.292     63
       2912.14   7.287    149
       2850.04   7.132     49
       2848.97   7.129     86
       2847.75   7.126     51
       2841.49   7.110    132
       2835.24   7.095     37
       2834.17   7.092     59
       2832.95   7.089     35
       1421.81   3.558    604
        913.70   2.287   1000
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder



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