7463-31-2

3-乙酰胺基苯乙酮(7463-31-2)核磁图(¹HNMR)

产品名称:3-乙酰胺基苯乙酮

CAS:7463-31-2

分子式:C10H11NO2

分子量: 177.2

InChI:InChI=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

Smiles:C(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

    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