For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5,9-Etheno-1,4-methano-1H-benzocycloheptene, 1,2,3,4,12,12-hexachloro-4,4a,5,6,7,8,9,9a-octahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,9.alpha.,9a.beta.)-

View entire compound with spectra: 1 MS (GC)

5,9-Etheno-1,4-methano-1H-benzocycloheptene, 1,2,3,4,12,12-hexachloro-4,4a,5,6,7,8,9,9a-octahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,9.alpha.,9a.beta.)-
SpectraBase Compound ID Cmp88Z5zucg
InChI InChI=1S/C14H12Cl6/c15-10-11(16)13(18)9-7-3-1-2-6(4-5-7)8(9)12(10,17)14(13,19)20/h4-9H,1-3H2/t6?,7?,8?,9?,12-,13+
InChIKey LBPYFVWBCRRDEY-CRWUDFKDSA-N
Mol Weight 393.0 g/mol
Molecular Formula C14H12Cl6
Exact Mass 389.907017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IKBxAUtPNcv
Name 5,9-Etheno-1,4-methano-1H-benzocycloheptene, 1,2,3,4,12,12-hexachloro-4,4a,5,6,7,8,9,9a-octahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,9.alpha.,9a.beta.)-
CAS Registry Number 73454-22-5
Comments Removed - expert review - solvent impurities
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12Cl6
InChI InChI=1S/C14H12Cl6/c15-10-11(16)13(18)9-7-3-1-2-6(4-5-7)8(9)12(10,17)14(13,19)20/h4-9H,1-3H2/t6?,7?,8?,9?,12-,13+
InChIKey LBPYFVWBCRRDEY-CRWUDFKDSA-N
Molecular Weight 392.968 g/mol
SMILES [C@@]12(C([C@@](Cl)(C3C2C2C=CC3CCC2)C(=C1Cl)Cl)(Cl)Cl)Cl
SPLASH splash10-0a4i-2900000000-592cda6f98e4a4b2a910
Source of Spectrum J-45-2398-0
Synonyms 3,4,5,6,14,14-hexachlorotetracyclo[6.3.2.1(3,6).0(2,7)]tetradeca-4,12-diene 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo,endo-1,4-propano-5,8-methanonaphthalene
Wiley ID 1364495