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Bicyclo[2.2.2]octane, 2,3,5,6,7,8-hexakis(chloromethyl)-, stereoisomer
SpectraBase Compound ID JQo12mtD8ng
InChI InChI=1S/C14H20Cl6/c15-1-7-8(2-16)14-11(5-19)9(3-17)13(7)10(4-18)12(14)6-20/h7-14H,1-6H2/t7-,8-,9-,10+,11-,12+,13-,14+/m0/s1
InChIKey FIELZBKEEMZOIM-IKDJVSEQSA-N
Mol Weight 401.0 g/mol
Molecular Formula C14H20Cl6
Exact Mass 397.969617 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8YFI9jX6Tc
Name Bicyclo[2.2.2]octane, 2,3,5,6,7,8-hexakis(chloromethyl)-, stereoisomer
CAS Registry Number 86420-29-3
Comments Removed - expert review - solvent impurities
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20Cl6
InChI InChI=1S/C14H20Cl6/c15-1-7-8(2-16)14-11(5-19)9(3-17)13(7)10(4-18)12(14)6-20/h7-14H,1-6H2/t7-,8-,9-,10+,11-,12+,13-,14+/m0/s1
InChIKey FIELZBKEEMZOIM-IKDJVSEQSA-N
Molecular Weight 401.032 g/mol
SMILES [C@]12([C@@]([C@@](CCl)([C@]([C@]([C@@]2(CCl)[H])(CCl)[H])([C@]([C@@]1(CCl)[H])(CCl)[H])[H])[H])(CCl)[H])[H]
SPLASH splash10-0006-9445000000-171ab5468909fba19d90
Source of Spectrum H-66-31-0
Synonyms 2,3,5,6,7,8-hexakis(chloromethyl)bicyclo[2.2.2]octane 2endo,3exo,5endo,6exo,7syn,8anti-hexakis(chloromethyl)bicyclo[2.2.2]octane
Wiley ID 1368137