Quintozine(82-68-8) IR3

Product NameQuintozine

CAS 82-68-8

Molecular FormulaC6Cl5NO2

Molecular Weight295.33

InChIInChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9

InChIKey LKPLKUMXSAEKID-UHFFFAOYSA-N

SmilesC1(Cl)=C([N+]([O-])=O)C(Cl)=C(Cl)C(Cl)=C1Cl

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Mass

MS-NW-8202          
pentachloronitrobenzene
C6Cl5NO2            (Mass of molecular ion:    293)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.1
      28.0       1.8
      30.0      52.5
      35.0       1.9
      36.0       5.6
      46.0       2.4
      47.0       5.4
      49.0       1.8
      60.0       4.5
      63.0       1.4
      71.0      11.8
      72.0       6.1
      73.0       3.5
      83.0       2.3
      85.0       1.0
      86.0       2.0
      88.5       1.9
      89.5       1.8
      94.0       1.2
      95.0       5.6
      96.0       1.1
      97.0       2.1
     106.0       6.5
     107.0      23.0
     108.0       5.9
     109.0       7.3
     110.0       1.1
     117.0       3.8
     118.0      13.4
     119.0       4.1
     120.0       8.5
     121.0       2.7
     122.0       1.5
     130.0       4.6
     132.0       3.5
     141.0       8.1
     142.0      44.7
     143.0      11.2
     144.0      28.2
     145.0       4.1
     146.0       4.6
     165.0       8.1
     167.0       7.8
     169.0       2.5
     177.0      26.2
     178.0       1.8
     179.0      25.3
     180.0       1.8
     181.0       8.4
     200.0       2.0
     202.0       2.6
     204.0       1.3
     212.0      50.4
     213.0       3.7
     214.0      64.6
     215.0       4.7
     216.0      31.6
     217.0       2.3
     218.0       7.0
     228.0       9.2
     230.0      13.2
     232.0       7.8
     234.0       2.4
     235.0      51.6
     236.0       3.3
     237.0      81.4
     238.0       4.7
     239.0      51.5
     240.0       3.0
     241.0      16.6
     242.0       1.0
     243.0       2.8
     247.0      53.6
     248.0       3.7
     249.0      85.1
     250.0       5.8
     251.0      54.0
     252.0       3.8
     253.0      17.3
     254.0       1.2
     255.0       2.7
     260.0       1.0
     263.0      23.9
     264.0       1.8
     265.0      37.9
     266.0       2.6
     267.0      24.1
     268.0       1.6
     269.0       7.7
     271.0       1.3
     277.0       2.0
     279.0       3.1
     281.0       2.1
     282.0      24.0
     283.0       2.4
     284.0      45.7
     285.0       3.2
     286.0      36.7
     287.0       2.4
     288.0      15.8
     289.0       1.1
     290.0       3.9
     293.0      63.1
     294.0       4.5
     295.0     100.0
     296.0       7.0
     297.0      63.4
     298.0       4.5
     299.0      20.3
     300.0       1.4
     301.0       3.3

in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,200 M,powder

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