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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>2127-10-8更多圖譜> 2,2'-二硫雙(5-硝基吡啶)(2127-10-8)質(zhì)譜(MS)

2127-10-8

2,2'-二硫雙(5-硝基吡啶)(2127-10-8)質(zhì)譜(MS)

產(chǎn)品名稱:2,2'-二硫雙(5-硝基吡啶)

CAS:2127-10-8

分子式:C10H6N4O4S2

分子量: 310.31

InChI:InChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H

InChIKey: ROUFCTKIILEETD-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-NW-6936          
    2,2'-dithiobis(5-nitropyridine)
    C10H6N4O4S2         (Mass of molecular ion:    310)
    

       Source Temperature: 200 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.4
          18.0       6.3
          28.0       1.4
          29.0       1.3
          30.0       7.0
          37.0       1.2
          38.0       5.6
          39.0       3.7
          40.0       4.0
          44.0       1.1
          45.0       5.8
          46.0       5.8
          50.0       5.7
          51.0       4.8
          52.0       3.5
          57.0       2.0
          58.0       1.1
          64.0       5.4
          65.0       2.2
          69.0       4.5
          70.0       4.2
          71.0       1.3
          76.0       2.2
          77.0       7.7
          78.0       1.6
          80.0       1.2
          81.0       4.0
          82.0      14.9
          83.0       5.5
          84.0       1.2
          96.0       2.1
          97.0       1.2
          98.0       2.3
         108.0       1.8
         109.0       4.1
         110.0       3.7
         112.0       2.1
         123.0      19.2
         124.0       1.7
         141.0       6.5
         142.0       1.4
         154.0       6.5
         155.0       1.8
         156.0       7.2
         157.0       1.2
         158.0       1.3
         170.0      14.9
         171.0       2.0
         185.0       1.4
         186.0       1.2
         187.0      10.7
         188.0       1.1
         189.0       1.2
         191.0       1.5
         200.0      11.0
         201.0       1.6
         217.0       1.3
         218.0       3.8
         220.0       1.0
         231.0       4.4
         232.0       1.7
         246.0       1.0
         264.0       2.9
         277.0       6.1
         278.0       2.9
         310.0     100.0
         311.0      14.5
         312.0      11.2
         313.0       1.5
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C10 H6 N4 O4 S2 0.037 g : 0.5 ml DMSO-d6
    2,2'-dithiobis(5-nitropyridine)
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.289 B 8.564 C 7.929

         Hz     ppm     Int.
    

       3714.29   9.294    942
       3713.68   9.293    943
       3711.55   9.288   1000
       3710.94   9.286    889
       3428.80   8.580    731
       3426.21   8.574    681
       3419.95   8.558    774
       3417.21   8.551    754
       3173.37   7.941    965
       3172.76   7.939    895
       3168.49   7.929     36
       3164.52   7.919    900
       3163.91   7.917    841
    

KBr disc

  • 圖譜

nujol mull

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