Product Name3,6-DINITRO-4-CYCLOHEXENE-1,2-DICARBOXYLICACID

CAS

Molecular FormulaC8H8N2O8

Molecular Weight260.15772

InChIInChI=1S/C8H8N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-6H,(H,11,12)(H,13,14)

InChIKey RQXQNNSFGCIDRE-UHFFFAOYSA-N

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

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IR1

IR2

Mass

MS-IW-4008          
3,6-dinitro-4-cyclohexene-1,2-dicarboxylic acid
C8H8N2O8            (Mass of molecular ion:    260)

   Source Temperature: 190 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      12.0       1.2
      16.0       3.9
      17.0       9.4
      18.0      33.0
      26.0       3.7
      27.0      14.4
      28.0      20.2
      29.0       2.9
      30.0      71.3
      31.0       1.7
      37.0       7.2
      38.0      10.4
      39.0      39.3
      40.0       6.9
      41.0      13.3
      42.0       4.8
      43.0       4.3
      44.0     100.0
      45.0       9.7
      46.0       3.0
      47.0       4.5
      49.0       3.5
      50.0      32.5
      51.0      53.9
      52.0      15.3
      53.0      16.0
      54.0      17.1
      55.0      12.6
      56.0       1.5
      57.0       2.0
      60.0       1.3
      61.0       4.2
      62.0       6.7
      63.0      13.0
      64.0       7.7
      65.0      84.7
      66.0      20.5
      67.0      13.7
      68.0       7.8
      69.0       2.8
      70.0       3.6
      71.0       1.3
      72.0       1.0
      73.0       4.5
      74.0      21.6
      75.0      36.3
      76.0      17.9
      77.0      82.6
      78.0      48.3
      79.0      19.4
      80.0       5.6
      81.0       6.9
      82.0       5.0
      83.0       2.7
      84.0       2.3
      85.0       1.5
      90.0       3.2
      91.0       6.0
      92.0       8.7
      93.0      15.9
      94.0      15.6
      95.0      12.5
      96.0       7.1
      97.0       2.7
      98.0       2.0
      99.0       4.3
     100.0       3.5
     103.0      19.1
     104.0       7.3
     105.0       5.6
     106.0       2.7
     107.0      28.6
     108.0      14.8
     109.0       7.9
     110.0       2.3
     111.0       1.2
     112.0       3.0
     119.0       3.4
     120.0       5.3
     121.0      42.8
     122.0       8.9
     123.0      21.5
     124.0      19.7
     125.0       6.1
     126.0       1.3
     134.0       1.8
     135.0       3.3
     136.0       8.1
     137.0      11.6
     138.0       4.3
     139.0       4.4
     140.0       8.0
     141.0       2.4
     149.0      19.0
     150.0       4.0
     151.0      43.0
     152.0      11.7
     153.0       8.8
     154.0       2.3
     163.0       2.2
     164.0       1.2
     165.0       1.3
     166.0       1.1
     167.0      22.9
     168.0       3.9
     169.0       2.6
     177.0       2.1
     179.0       3.6
     180.0       2.1
     182.0       1.9
     183.0       1.2
     185.0       2.7
     193.0       1.8
     213.0       1.6

KBr disc

nujol mull

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