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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>4083-64-1更多圖譜> 對甲基苯磺酰異氰酸酯(4083-64-1)質(zhì)譜(MS)

4083-64-1

對甲基苯磺酰異氰酸酯(4083-64-1)質(zhì)譜(MS)

產(chǎn)品名稱:對甲基苯磺酰異氰酸酯

CAS:4083-64-1

分子式:C8H7NO3S

分子量: 197.21

InChI:InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3

InChIKey: VLJQDHDVZJXNQL-UHFFFAOYSA-N

Smiles:C1(S(N=C=O)(=O)=O)=CC=C(C)C=C1

  • 圖譜
    Mass 

    MS-NW-8524          
p-toluenesulfonyl isocyanate
C8H7NO3S            (Mass of molecular ion:    197)


       Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV


          16.0       1.1
      27.0       1.6
      28.0       2.7
      38.0       1.7
      39.0      12.5
      41.0       3.2
      44.0      24.4
      45.0       1.2
      50.0       4.2
      51.0       5.8
      52.0       2.2
      53.0       1.2
      62.0       3.0
      63.0       8.8
      64.0       2.5
      65.0      25.0
      66.0       1.5
      74.0       1.0
      77.0       4.2
      78.0       2.2
      79.0       1.5
      89.0       6.8
      90.0       3.9
      91.0     100.0
      92.0       7.9
     104.0       1.0
     107.0       1.0
     139.0       1.0
     155.0      35.7
     156.0       3.0
     157.0       1.8
     197.0      18.7
     198.0       1.8
     199.0       1.0

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H7 N O3 S 0.05 ml : 0.5 ml CDCl3
    p-toluenesulfonyl isocyanate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.868
      B             7.397
      C             2.466
  

         Hz     ppm     Int.


       3150.02   7.882     79
   3148.07   7.878    421
   3146.12   7.873    162
   3141.36   7.861    164
   3139.40   7.856    447
   2960.57   7.408    326
   2959.84   7.407    344
   2951.90   7.387    315
   2951.42   7.386    275
    985.47   2.466   1000

in CDCl3

  • 圖譜

liquid film

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