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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

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    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

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

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KBr disc

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nujol mull

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