2-NITRODIBENZOTHIOPHENE(6639-36-7) MS

Product Name2-NITRODIBENZOTHIOPHENE

CAS 6639-36-7

Molecular FormulaC12H7NO2S

Molecular Weight229.25

InChIInChI=1S/C12H7NO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H

InChIKey GXLYVLHWXVRVKI-UHFFFAOYSA-N

SmilesC12=CC=C([N+]([O-])=O)C=C1C1=CC=CC=C1S2

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IR1

IR2

Mass

MS-IW-1065          
2-nitrodibenzothiophene
C12H7NO2S           (Mass of molecular ion:    229)

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

      63.0       1.3
      69.0       1.4
      89.0       1.6
      91.0       5.3
      91.5       2.0
     113.0       1.8
     127.0       1.0
     137.0       1.8
     138.0       5.2
     139.0      35.3
     140.0       4.4
     171.0       7.9
     172.0       1.1
     182.0       6.2
     183.0      45.6
     184.0       6.8
     185.0       2.4
     199.0       8.2
     200.0       1.2
     229.0     100.0
     230.0      14.4
     231.0       5.7

KBr disc

nujol mull

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