101-59-7

4-氨基-4'-硝基二苯硫醚(101-59-7)質譜(MS)

產(chǎn)品名稱:4-氨基-4'-硝基二苯硫醚

CAS:101-59-7

分子式:C12H10N2O2S

分子量: 246.29

InChI:InChI=1S/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2

InChIKey: ZBPKGHOGUVVDLF-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(SC2=CC=C([N+]([O-])=O)C=C2)C=C1

Mass

MS2014-05015CW      
p-(p-nitrophenylthio)aniline
C12H10N2O2S         (Mass of molecular ion:    246)

   Source Temperature: 250 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      39.0       1.2
      53.0       1.0
      63.0       1.6
      65.0       2.4
      69.0       1.0
      80.0       7.2
      97.0       1.5
      99.5       4.1
     100.0       1.1
     123.0       2.0
     124.0      23.7
     125.0       2.3
     126.0       1.3
     139.0       3.3
     140.0       1.0
     154.0       1.1
     156.0       1.2
     166.0       1.2
     167.0      10.1
     168.0       1.8
     171.0       3.5
     172.0       1.6
     183.0       6.0
     184.0       6.4
     185.0       1.2
     188.0       2.1
     198.0       1.9
     199.0      18.2
     200.0      24.2
     201.0       4.3
     202.0       1.3
     214.0       1.4
     216.0       5.8
     230.0       1.0
     245.0       3.2
     246.0     100.0
     247.0      14.4
     248.0       5.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₀ N₂ O₂ S	0.033 g : 0.5 ml DMSO-d₆
p-(p-nitrophenylthio)aniline

    Assign.     Shift(ppm)

      A             8.096
      B             7.240
      C             7.149
      D             6.709
      E             5.75

     Hz     ppm     Int.

   3242.92   8.115    130
   3240.23   8.108    966
   3238.16   8.103    311
   3233.15   8.090    329
   3231.20   8.086   1000
   3228.52   8.079    136
   2901.00   7.259    111
   2898.19   7.252    842
   2896.24   7.247    284
   2891.60   7.236    310
   2889.65   7.231    917
   2886.84   7.224    129
   2864.50   7.168    143
   2861.69   7.161    997
   2859.62   7.156    317
   2857.18   7.150     70
   2854.74   7.144    328
   2852.66   7.138    955
   2849.98   7.132    131
   2688.35   6.727    125
   2685.67   6.721    953
   2683.59   6.715    303
   2678.96   6.704    308
   2677.00   6.699    882
   2674.19   6.692    119
   2296.26   5.746    795

in DMSO-d6