537-91-7

3,3'-二硝基二苯二硫醚(537-91-7)质谱(MS)

产品名称:3,3'-二硝基二苯二硫醚

CAS:537-91-7

分子式:C12H8N2O4S2

分子量: 308.33

InChI:InChI=1S/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H

InChIKey: ODOFDWDUSSFUMN-UHFFFAOYSA-N

Smiles:S(C1=CC=CC([N+]([O-])=O)=C1)SC1=CC=CC([N+]([O-])=O)=C1

Mass

MS-NW-6861          
bis(m-nitrophenyl) disulfide
C12H8N2O4S2         (Mass of molecular ion:    308)

   Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       3.6
      28.0       1.0
      30.0       1.5
      38.0       1.3
      39.0       2.6
      45.0       3.8
      50.0       2.6
      51.0       1.3
      58.0       5.2
      62.0       1.3
      63.0       6.7
      64.0       2.2
      65.0       1.3
      69.0      17.3
      70.0       2.0
      71.0       1.5
      74.0       1.0
      75.0       1.7
      76.0       2.4
      81.0       1.2
      82.0       8.2
      92.0       1.1
      95.0       1.6
      96.0       7.1
     107.0       1.6
     108.0      35.9
     109.0       6.0
     110.0       2.1
     124.0       2.5
     138.0       2.3
     139.0       1.1
     140.0       4.0
     154.0       9.6
     155.0       4.4
     156.0       1.0
     168.0       4.2
     170.0       3.0
     171.0       7.5
     172.0       1.7
     184.0       1.1
     199.0       4.1
     200.0       1.6
     203.0       5.0
     204.0       4.3
     205.0       1.1
     215.0       1.2
     230.0       1.1
     308.0     100.0
     309.0      15.7
     310.0      11.3
     311.0       1.6

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₈ N₂ O₄ S₂	0.040 g : 0.5 ml CDCl₃
bis(m-nitrophenyl) disulfide

    Assign.     Shift(ppm)

      A             8.364
      B             8.099
      C             7.804
      D             7.537

     Hz     ppm     Int.

    751.50   8.392    462
    751.13   8.387    438
    749.38   8.368   1000
    747.50   8.347    686
    747.06   8.342    567
    731.50   8.168    375
    730.31   8.155    458
    729.31   8.144    334
    728.13   8.131    339
    723.50   8.079    486
    722.31   8.066    574
    721.38   8.055    457
    720.19   8.042    475
    705.50   7.878    321
    704.31   7.865    428
    703.63   7.857    321
    702.44   7.844    352
    697.63   7.790    662
    696.44   7.777    679
    695.75   7.769    682
    694.56   7.756    541
    681.50   7.610    830
    681.00   7.604    751
    673.56   7.521    976
    673.13   7.516    910
    665.63   7.433    358
    665.19   7.428    334