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网站主页CAS数据库列表 69-78-3更多图谱5,5'-二硫双(2-硝基苯甲酸)(69-78-3)Raman光谱

5,5'-二硫双(2-硝基苯甲酸)

产品名称 5,5'-二硫双(2-硝基苯甲酸)

CAS号69-78-3

分子式C14H8N2O8S2

分子量396.35

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  • Mass

    MS-NW-7214          
    5,5'-dithiobis(2-nitrobenzoic acid)
    C14H8N2O8S2         (Mass of molecular ion:    396)
    

       Source Temperature: 190 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          17.0       2.8
          18.0      12.7
          28.0       4.0
          30.0      43.0
          37.0       1.0
          38.0       2.2
          39.0       5.9
          44.0      28.6
          45.0      11.7
          46.0       1.2
          50.0       4.0
          51.0       3.8
          52.0       2.4
          53.0       4.0
          55.0       1.7
          57.0       3.0
          58.0       3.9
          61.0       1.6
          62.0       5.8
          63.0      31.7
          64.0       6.1
          65.0       5.8
          69.0      15.1
          70.0       9.8
          71.0       5.3
          74.0       3.2
          75.0       4.6
          76.0       1.7
          77.0       1.2
          79.0       1.9
          81.0       2.8
          82.0       6.1
          83.0       1.7
          84.0       1.5
          85.0       3.0
          91.0       1.0
          92.0       4.1
          93.0       1.4
          94.0       1.1
          95.0      13.2
          96.0      19.6
          97.0       6.0
          98.0       3.0
         106.0       2.9
         107.0       4.4
         108.0      10.2
         109.0       6.9
         110.0       1.4
         111.0       1.8
         120.0       1.7
         122.0       1.7
         123.0       9.6
         124.0      26.0
         125.0      10.2
         126.0       2.4
         127.0       1.4
         135.0       1.0
         138.0       3.5
         139.0       4.6
         140.0       2.9
         141.0       1.7
         150.0       4.6
         151.0      24.5
         152.0      29.3
         153.0       6.1
         154.0       3.0
         155.0      11.4
         156.0       1.5
         158.0       1.2
         168.0       7.5
         169.0       5.2
         170.0       1.6
         171.0       2.1
         182.0       8.1
         183.0       1.6
         184.0       1.7
         198.0       1.3
         199.0      10.8
         200.0       1.5
         201.0       1.4
         202.0       1.3
         214.0       1.5
         230.0       1.6
         232.0       1.3
         248.0       1.4
         258.0       5.9
         259.0       1.2
         276.0       2.3
         308.0       5.7
         309.0       1.0
         352.0      21.4
         353.0       3.9
         354.0       2.6
         364.0       1.2
         366.0       2.9
         380.0       1.1
         396.0     100.0
         397.0      18.4
         398.0      12.5
         399.0       2.1
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C14 H8 N2 O8 S2 0.039 g : 0.5 ml DMSO-d6
    5,5'-dithiobis(2-nitrobenzoic acid)
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.071 B 7.991 C 7.913

         Hz     ppm     Int.
    

       3230.47   8.084    757
       3221.80   8.062    976
       3217.41   8.051     24
       3194.95   7.995    910
       3192.75   7.989   1000
       3188.23   7.978     31
       3167.24   7.926    609
       3165.04   7.920    514
       3158.69   7.904    474
       3156.37   7.898    427
    


  • 1H NMR 89.56 MHz
    C14 H8 N2 O8 S2 0.042 g : 0.5 ml DMSO-d6
    5,5'-dithiobis(2-nitrobenzoic acid)
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 8.060 C 7.99 D 7.919 J(B,C)=0.6HZ J(B,D)=8.3HZ J(C,D)=2.2HZ

         Hz     ppm     Int.
    

        728.13   8.131    263
        727.54   8.124    254
        724.80   8.093     43
        719.24   8.031    808
        716.31   7.999    623
        714.84   7.982   1000
        712.50   7.956    894
        710.35   7.932    412
        704.20   7.863    284
        702.05   7.839    216
        700.49   7.822     66
        699.12   7.807     47
        696.78   7.781     34
        696.39   7.776     33
        695.61   7.767     30
        694.63   7.757     27
        694.24   7.752     27
        692.77   7.736     26
        692.09   7.728     27
        690.53   7.711     26
    

DMSO-d6



KBr disc



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