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Back ChemicalBook Home>CAS DataBase List>80789-64-6More Spectrum> 1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene(80789-64-6) IR2

80789-64-6

1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene(80789-64-6) IR2

Molecular FormulaC20H4Cl16

Molecular Weight811.49

InChIInChI=1S/C20H4Cl16/c21-7-1-2(8(22)10(24)9(7)23)4-6(18(32)14(28)12(26)16(4,30)20(18,35)36)5-3(1)15(29)11(25)13(27)17(5,31)19(15,33)34/h3-6H

InChIKey TYLICGTWUJQTQZ-UHFFFAOYSA-N

SmilesC12(Cl)C(Cl)(Cl)C(Cl)(C3C1C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C1C3C3(Cl)C(Cl)(Cl)C1(Cl)C(Cl)=C3Cl)C(Cl)=C2Cl

  • 1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene(80789-64-6) IR2
    Mass

    MS-NW-9201          
    1,2,3,4-tetrachloronaphthalene-bis(hexachlorocyclopentadiene) adduct
    C20H4Cl16           (Mass of molecular ion:    804)
    

       Source Temperature: 220 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          60.0       1.2
          95.0       2.5
          97.0       2.1
          98.0       1.3
         117.0       2.2
         117.5       1.0
         118.5       1.6
         119.0       2.3
         119.5       1.0
         123.0       1.2
         130.0       2.8
         132.0       2.8
         133.0       1.5
         141.0       3.1
         143.0       3.1
         145.0       1.1
         159.0       1.8
         165.0       2.4
         167.0       2.5
         194.0       9.0
         195.0       1.5
         196.0       5.8
         198.0       1.0
         228.0       1.1
         229.0       5.6
         230.0       4.8
         231.0       5.6
         232.0       4.1
         233.0       2.1
         234.0       1.4
         235.0      17.3
         236.0       1.2
         237.0      27.4
         238.0       1.8
         239.0      17.8
         240.0       1.2
         241.0       5.8
         243.0       1.0
         264.0      78.6
         265.0       8.9
         266.0     100.0
         267.0      11.0
         268.0      47.7
         269.0       5.3
         270.0      12.6
         271.0       1.2
         272.0       5.9
         274.0       4.2
         276.0       1.9
         356.0       2.4
         358.0       2.4
         359.0       1.3
         360.0       1.1
         361.0       1.7
         363.0       1.0
         395.0       1.4
         397.0       1.1
         431.0       1.3
         433.0       1.2
    

KBr disc

  • 1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene(80789-64-6) IR2

nujol mull

  • 1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene(80789-64-6) IR2

1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene(80789-64-6) IR2 Atlas of Related Products

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