16201-96-0

4-苯氮霉素(16201-96-0)质谱(MS)

产品名称:4-苯氮霉素

CAS:16201-96-0

分子式:C16H11N3O2

分子量: 277.28

InChI:InChI=1S/C16H11N3O2/c20-15-10-11-16(21)19(15)14-8-6-13(7-9-14)18-17-12-4-2-1-3-5-12/h1-11H

InChIKey: DVNPYLMPVFDKGZ-UHFFFAOYSA-N

Smiles:N1(C2=CC=C(N=NC3=CC=CC=C3)C=C2)C(=O)C=CC1=O

Mass

MS-NW-7858          
N-(p-(phenylazo)phenyl)maleimide
C16H11N3O2          (Mass of molecular ion:    277)

   Source Temperature: 200 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       1.6
      26.0       4.0
      27.0       1.1
      28.0       2.0
      38.0       1.1
      39.0       6.8
      50.0       2.1
      51.0      18.7
      52.0       2.5
      53.0       2.3
      54.0      19.6
      55.0       1.4
      63.0       7.9
      64.0       4.2
      65.0       4.1
      75.0       2.2
      76.0       2.7
      77.0      99.6
      78.0       8.1
      80.0       1.1
      82.0      22.4
      83.0       1.1
      89.0       9.9
      90.0      10.0
      91.0       2.1
      93.0       2.2
     102.0       2.4
     103.0       1.4
     105.0      19.8
     106.0       1.6
     115.0       1.5
     116.0      19.9
     117.0       2.6
     118.0       3.2
     128.0       1.3
     139.0       1.2
     140.0       1.1
     144.0      15.7
     145.0       2.0
     152.0       2.5
     153.0       1.5
     165.0       1.2
     166.0       2.0
     167.0       1.9
     172.0     100.0
     173.0      11.7
     174.0       1.2
     179.0       2.0
     192.0       1.3
     195.0       1.0
     200.0      17.8
     201.0       2.4
     220.0       1.1
     277.0      53.8
     278.0      10.4
     279.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₁ N₃ O₂	0.035 g : 0.5 ml CDCl₃
N-(p-(phenylazo)phenyl)maleimide

    Assign.     Shift(ppm)

      A             8.020
      B             7.929
      C             7.553
      D             7.50
      E             7.48
      F             6.861

     Hz     ppm     Int.

   3212.28   8.038     76
   3209.72   8.032    325
   3207.89   8.027    139
   3203.00   8.015    141
   3201.05   8.010    363
   3198.49   8.004     74
   3174.19   7.943    186
   3172.49   7.939    231
   3170.53   7.934     99
   3167.36   7.926    139
   3165.77   7.922    243
   3164.55   7.919    224
   3161.74   7.912     44
   3025.76   7.572     88
   3023.19   7.565    366
   3021.36   7.561    157
   3016.36   7.548    160
   3014.53   7.543    392
   3006.23   7.523    270
   3003.78   7.517    129
   3000.12   7.507    143
   2998.78   7.504    251
   2995.48   7.496    192
   2994.02   7.492    123
   2991.58   7.486     67
   2988.65   7.479    113
   2984.86   7.469     33
   2982.79   7.464     32
   2981.45   7.461     36
   2742.19   6.862   1000

in CDCl3