TETRACHLOROHYDROQUINONE(87-87-6) IR1

Product NameTETRACHLOROHYDROQUINONE

CAS 87-87-6

Molecular FormulaC6H2Cl4O2

Molecular Weight247.89

InChIInChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H

InChIKey STOSPPMGXZPHKP-UHFFFAOYSA-N

SmilesC1(O)=C(Cl)C(Cl)=C(O)C(Cl)=C1Cl

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IR1

IR2

Mass

MS-NW-1283          
tetrachlorohydroquinone
C6H2Cl4O2           (Mass of molecular ion:    246)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.2
      17.0       1.3
      18.0       5.8
      24.0       1.0
      25.0       1.2
      28.0       4.0
      29.0       4.8
      31.0       4.8
      35.0       1.6
      36.0       4.6
      37.0       1.3
      38.0       1.3
      44.0       3.3
      47.0       3.6
      48.0       2.1
      49.0       3.3
      50.0       1.6
      52.0       3.3
      53.0       8.4
      55.5       1.1
      56.0       2.3
      59.0       5.6
      60.0       5.4
      61.0       1.9
      63.0       2.5
      65.0       2.0
      71.0       1.9
      73.0       4.5
      73.5       1.2
      74.0       2.8
      76.0       1.0
      77.0       3.0
      78.0       1.6
      83.0       4.2
      84.0       6.7
      85.0       3.4
      86.0       2.2
      87.0      43.9
      88.0       2.7
      89.0      14.9
      91.0       3.8
      92.0       3.3
      93.0       1.2
      94.0       2.7
      95.0       3.9
      96.0       2.3
      97.0       1.6
     105.0       3.6
     106.0       4.0
     107.0       1.8
     111.0      10.6
     112.0       1.6
     113.0       6.6
     115.0       1.0
     118.0       5.8
     119.0       8.5
     120.0       5.0
     121.0       5.6
     122.0       1.9
     123.0       4.4
     124.0       4.4
     125.0       2.1
     130.0       1.5
     132.0       1.1
     147.0      29.7
     148.0       3.0
     149.0      18.8
     150.0       1.9
     151.0       3.1
     153.0       2.6
     154.0      11.4
     155.0       4.2
     156.0      11.1
     157.0       2.6
     158.0       3.7
     175.0      12.1
     176.0       1.7
     177.0       7.6
     178.0       1.2
     179.0       1.4
     181.0       2.6
     182.0      14.7
     183.0       4.5
     184.0      14.5
     185.0       3.1
     186.0       4.9
     188.0       1.4
     190.0       1.1
     209.0       2.5
     210.0      11.3
     211.0       3.5
     212.0      14.0
     213.0       2.2
     214.0       6.6
     216.0       2.1
     217.0       1.1
     218.0       1.1
     219.0       1.4
     244.0       1.8
     245.0       1.5
     246.0      79.0
     247.0       6.9
     248.0     100.0
     249.0       7.6
     250.0      46.9
     251.0       3.2
     252.0      10.2

KBr disc

nujol mull

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