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Bicyclo[4.2.0]octa-1,3,5-triene, 7,8-dichloro-2-methyl-3,4,5-triphenyl-, cis-
SpectraBase Compound ID E56OXWMrclU
InChI InChI=1S/C27H20Cl2/c1-17-21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)25-22(17)26(28)27(25)29/h2-16,26-27H,1H3/t26-,27+/m1/s1
InChIKey BMEZMOXUZZHJQB-SXOMAYOGSA-N
Mol Weight 415.36 g/mol
Molecular Formula C27H20Cl2
Exact Mass 414.094206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rcoJI7UZWs
Name Bicyclo[4.2.0]octa-1,3,5-triene, 7,8-dichloro-2-methyl-3,4,5-triphenyl-, cis-
Alternate Name(s) (7S,8R)-7,8-dichloro-2-methyl-3,4,5-triphenylbicyclo[4.2.0]octa-1,3,5-triene cis-7,8-dichloro-2-methyl-3,4,5-triphenylbicyclo[4.2.0]octa-1,3,5-triene
CAS Registry Number 78241-04-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20Cl2
InChI InChI=1S/C27H20Cl2/c1-17-21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)25-22(17)26(28)27(25)29/h2-16,26-27H,1H3/t26-,27+/m1/s1
InChIKey BMEZMOXUZZHJQB-SXOMAYOGSA-N
Molecular Weight 415.363 g/mol
SMILES c12c(c(C)c(c(c2-c2ccccc2)-c2ccccc2)-c2ccccc2)[C@]([C@]1(Cl)[H])(Cl)[H]
SPLASH splash10-01u0-0109400000-a8bf17f9a95aa7b285af
Source of Spectrum B-34-435-0
Wiley ID 1375639