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1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE (alpha isomer)

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1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE (alpha isomer)
SpectraBase Compound ID Ib7EirJCx9C
InChI InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1
InChIKey JLYXXMFPNIAWKQ-SHFUYGGZSA-N
Mol Weight 290.8 g/mol
Molecular Formula C6H6Cl6
Exact Mass 287.860066 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ApqyAaDMoZ4
Name 1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE (alpha-ISOMER)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 288C
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6Cl6
InChI InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1
InChIKey JLYXXMFPNIAWKQ-SHFUYGGZSA-N
Melting Point 158C
Molecular Weight 290.83
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CYCLOHEXANE, 1,2,3,4,5,6- HEXACHLORO-, alpha-ISOMER