BETA,4-DINITROSTYRENE(3156-41-0) IR2

Product NameBETA,4-DINITROSTYRENE

CAS 3156-41-0

Molecular FormulaC8H6N2O4

Molecular Weight194.14

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

InChIKey HABXLWPUIWFTNM-UHFFFAOYSA-N

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

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IR1

IR2

Mass

MS-IW-5375          
4,beta-dinitrostyrene
C8H6N2O4            (Mass of molecular ion:    194)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.5
      18.0       7.4
      27.0       3.9
      28.0      10.0
      30.0      23.3
      37.0       1.2
      38.0       2.8
      39.0      11.6
      40.0       1.2
      43.0       1.8
      44.0       2.9
      50.0      25.9
      51.0      21.4
      52.0      11.5
      53.0       2.9
      55.0       1.7
      61.0       1.8
      62.0       6.1
      63.0      19.8
      64.0       7.8
      65.0      19.6
      66.0       2.5
      67.0       1.4
      68.0       1.4
      69.0       1.0
      73.0       1.2
      74.0      14.4
      75.0      24.4
      76.0      47.6
      77.0      12.3
      78.0       6.8
      79.0       7.4
      80.0       2.1
      81.0       1.1
      86.0       1.2
      87.0       2.3
      88.0       1.4
      89.0      41.4
      90.0      30.8
      91.0       4.8
      92.0      11.6
      93.0       4.6
      98.0       2.9
      99.0       1.1
     101.0      25.0
     102.0      73.9
     103.0       8.0
     104.0       3.0
     105.0       3.7
     106.0       2.2
     116.0       1.2
     117.0      17.1
     118.0      42.8
     119.0       6.8
     120.0       9.7
     121.0       1.8
     130.0       1.9
     131.0       4.7
     132.0       1.7
     134.0       1.4
     146.0       1.0
     147.0      92.3
     148.0      16.8
     149.0       2.1
     150.0       9.0
     151.0       5.3
     162.0       1.1
     164.0       1.5
     177.0      13.8
     178.0       2.8
     194.0     100.0
     195.0      10.2
     196.0       1.2

KBr disc

nujol mull

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