Acetoacetanilide(102-01-2) ¹H NMR

Product NameAcetoacetanilide

CAS 102-01-2

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

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Acetoacetanilide(102-01-2) <sup>1</sup>H NMR
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

Acetoacetanilide(102-01-2) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₁₀ H₁₁ N O₂	0.038 g : 0.5 ml CDCl₃
acetoacetanilide

    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