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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1p3xD5JNseV
Name 1,2,3,4,5,6-hexachlorocyclohexane
Carrier Gas Helium (1.0 ml/min)
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Exact Mass 287.860066393 u
Formula C6H6Cl6
GC Column Agilent VF 17 (30 m x 0.250 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 270oC
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
Inlet Type Splitless
Instrument Name Agilent 6890N-5975
Ionization Type EI
Literature Reference DOI 10.1002/jssc.201601337
Molecular Weight 290.832 g/mol
SMILES [C@]1([C@@]([C@]([C@@]([C@@]([C@]1(Cl)[H])(Cl)[H])(Cl)[H])(Cl)[H])(Cl)[H])(Cl)[H]
SPLASH splash10-0159-0590000000-e6e1d4c23b68378804bb
Source of Spectrum SEP-40-2441-alpha-666 (DOI: 10.1002/jssc.201601337)
Wiley ID 1904367