BETA,3-DINITROSTYRENE(882-26-8) IR2

Product NameBETA,3-DINITROSTYRENE

CAS 882-26-8

Molecular FormulaC8H6N2O4

Molecular Weight194.14

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

InChIKey YOEGXQQUPVDQEE-UHFFFAOYSA-N

SmilesC1([N+]([O-])=O)=CC=CC(C=C[N+]([O-])=O)=C1

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IR1

IR2

Mass

MS-IW-5420          
3,beta-dinitrostyrene
C8H6N2O4            (Mass of molecular ion:    194)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       1.5
      28.0       4.7
      30.0      12.5
      38.0       2.2
      39.0       9.6
      40.0       1.1
      43.0       1.1
      50.0      19.3
      51.0      15.9
      52.0       9.5
      53.0       3.0
      55.0       4.2
      60.0       1.5
      61.0       1.5
      62.0       4.6
      63.0      15.8
      64.0       5.2
      65.0      10.2
      66.0       1.6
      68.0       1.6
      69.0       1.1
      71.0       1.4
      74.0      10.8
      75.0      21.1
      76.0      43.1
      77.0       8.1
      78.0       3.3
      79.0       3.6
      80.0       2.2
      81.0       1.1
      87.0       1.8
      89.0      26.7
      90.0      21.0
      91.0       2.7
      92.0       4.7
      93.0       1.8
      98.0       1.7
     101.0      38.1
     102.0     100.0
     103.0      10.7
     104.0       2.3
     105.0       5.0
     106.0      11.3
     107.0       1.1
     110.0       1.3
     117.0       9.2
     118.0      43.7
     119.0       5.7
     120.0       5.9
     121.0       2.9
     131.0       1.7
     132.0       1.0
     134.0       4.3
     136.0       2.8
     147.0      77.0
     148.0      25.5
     149.0       2.8
     150.0       6.5
     151.0       3.5
     177.0      14.5
     178.0       2.6
     194.0      93.2
     195.0       9.4
     196.0       1.1

KBr disc

nujol mull

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