Phenothiazine(92-84-2) ¹³C NMR

Product NamePhenothiazine

CAS 92-84-2

Molecular FormulaC12H9NS

Molecular Weight199.27

InChIInChI=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

SmilesC1=C2C(SC3=C(N2)C=CC=C3)=CC=C1

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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

¹H NMR	399.65 MHz
C₁₂ H₉ N S	0.034 g : 0.5 ml CDCl₃ at 50C
phenothiazine

    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