BETA,2-DINITROSTYRENE(3156-39-6) MS

Product NameBETA,2-DINITROSTYRENE

CAS 3156-39-6

Molecular FormulaC8H6N2O4

Molecular Weight194.14

InChIInChI=1S/C8H6N2O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H

InChIKey INIQBBVYBCGEIX-UHFFFAOYSA-N

SmilesC1([N+]([O-])=O)=CC=CC=C1C=C[N+]([O-])=O

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IR1

IR2

Mass

MS-IW-5417          
2,beta-dinitrostyrene
C8H6N2O4            (Mass of molecular ion:    194)

   Source Temperature: 150 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      27.0       2.4
      28.0       5.6
      29.0       3.2
      30.0      10.9
      37.0       1.2
      38.0       2.8
      39.0      18.6
      40.0       2.1
      41.0       1.7
      44.0       2.3
      50.0      17.8
      51.0      27.1
      52.0      10.3
      53.0       1.7
      61.0       1.6
      62.0       5.4
      63.0      21.7
      64.0      13.4
      65.0      72.6
      66.0       7.6
      74.0      10.2
      75.0      22.9
      76.0      26.5
      77.0      20.3
      78.0       5.1
      79.0       2.6
      87.0       1.6
      88.0       1.3
      89.0      35.2
      90.0      19.3
      91.0       5.5
      92.0     100.0
      93.0      10.8
      98.0       1.2
     101.0      11.9
     102.0      19.7
     103.0       4.5
     104.0       3.6
     105.0       2.8
     117.0       1.0
     118.0      21.7
     119.0       5.6
     120.0       4.2
     121.0       1.2
     131.0       1.9
     132.0       1.5
     135.0       1.1
     146.0       2.9
     147.0       5.0
     148.0      21.9
     149.0       2.2
     194.0       5.1

KBr disc

nujol mull

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