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92-84-2

吩噻嗪(92-84-2)ESR圖譜

產(chǎn)品名稱:吩噻嗪

CAS:92-84-2

分子式:C12H9NS

分子量: 199.27

InChI:InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H

InChIKey: WJFKNYWRSNBZNX-UHFFFAOYSA-N

Smiles:C1=C2C(SC3=C(N2)C=CC=C3)=CC=C1

  • 圖譜
    Mass 

    MS-NW-0400          
phenothiazine
C12H9NS             (Mass of molecular ion:    199)


       Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          39.0       1.6
      45.0       1.8
      50.0       1.2
      51.0       1.4
      63.0       1.8
      69.0       2.5
      77.0       2.0
      77.5       1.0
      86.5       1.5
      98.5       1.8
      99.5       7.5
     100.0       1.2
     127.0       1.9
     128.0       1.3
     139.0       2.4
     140.0       2.1
     154.0       5.3
     155.0       1.6
     166.0      10.5
     167.0      27.7
     168.0       3.7
     171.0       2.0
     196.0       1.1
     197.0       2.1
     198.0      12.4
     199.0     100.0
     200.0      14.7
     201.0       5.3

400 MHz at 49.0C

  • 圖譜

    1H NMR 399.65 MHz
    C12 H9 N S 0.034 g : 0.5 ml CDCl3 at 50C
    phenothiazine
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             6.96
      B             6.95
      C             6.785
      D             6.490
      E             5.7
  

         Hz     ppm     Int.


       2785.03   6.969    635
   2777.59   6.951   1000
   2770.39   6.933    342
   2768.92   6.929    247
   2711.43   6.785    101
   2597.53   6.500    207
   2589.72   6.480    197

in DMSO-d6

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KBr disc

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nujol mull

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AIBN CATALYZED OXIDATION

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