588-53-4

4-苄烯氨基苯酚(588-53-4)质谱(MS)

产品名称:4-苄烯氨基苯酚

CAS:588-53-4

分子式:C13H11NO

分子量: 197.23

InChI:InChI=1S/C13H11NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10,15H

InChIKey: BVTLIIQDQAUXOI-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(N=CC2=CC=CC=C2)C=C1

Mass

MS-IW-5808          
p-(benzylideneamino)phenol
C13H11NO            (Mass of molecular ion:    197)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.8
      39.0       4.3
      51.0       1.6
      63.0       1.9
      64.0       1.2
      65.0       9.5
      76.0       1.1
      77.0       4.7
      78.0       1.7
      83.5       1.4
      89.0       2.6
      89.5       4.2
      90.0       1.4
      93.0       8.1
      98.0       1.3
      98.5       3.1
     115.0       1.1
     119.0       2.6
     120.0      11.3
     151.0       1.1
     167.0       2.3
     168.0       1.2
     196.0      77.8
     197.0     100.0
     198.0      14.1
     199.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₁ N O	0.040 g : 0.5 ml DMSO-d₆
p-(benzylideneamino)phenol

    Assign.     Shift(ppm)

      A             9.54
      B             8.623
      C             7.914
      D             7.500
      E             7.230
      F             6.842

     Hz     ppm     Int.

   3815.46   9.548   1000
   3446.50   8.624    689
   3171.69   7.937     39
   3168.03   7.928    244
   3166.50   7.924    177
   3164.22   7.918    288
   3162.84   7.915    228
   3160.71   7.909    264
   3158.26   7.903    270
   3155.98   7.897     54
   3154.60   7.894     38
   3000.34   7.508    518
   2998.96   7.504    312
   2996.83   7.499    580
   2993.77   7.491    586
   2990.11   7.482     71
   2897.49   7.251     69
   2894.29   7.243    615
   2892.15   7.237    197
   2887.73   7.226    212
   2885.59   7.221    677
   2882.23   7.212     71
   2742.00   6.862     81
   2738.65   6.853    685
   2736.51   6.848    208
   2732.09   6.837    203
   2729.95   6.831    613
   2726.59   6.823     60

in DMSO-d6