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Benzocyclododecene, 7,8,11,12-tetrahydro-1,2,3,4-tetraphenyl-, (E,E,E)-
SpectraBase Compound ID 8xRRz3eNlop
InChI InChI=1S/C40H34/c1-2-4-6-20-30-36-35(29-19-5-3-1)37(31-21-11-7-12-22-31)39(33-25-15-9-16-26-33)40(34-27-17-10-18-28-34)38(36)32-23-13-8-14-24-32/h1-2,7-30H,3-6H2/b2-1-,29-19-,30-20-
InChIKey CJFISCJOUNRMTO-WEKDWVPYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C40H34
Exact Mass 514.266051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVUUnb0mR44
Name Benzocyclododecene, 7,8,11,12-tetrahydro-1,2,3,4-tetraphenyl-, (E,E,E)-
Alternate Name(s) (E,E,E)-7,8,11,12-tetrahydro-1,2,3,4-tetraphenylbenzo-cyclododecene 1,2,3,4-tetraphenyl-7,8,11,12-tetrahydrobenzo[a]cyclododecene
CAS Registry Number 107170-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H34
InChI InChI=1S/C40H34/c1-2-4-6-20-30-36-35(29-19-5-3-1)37(31-21-11-7-12-22-31)39(33-25-15-9-16-26-33)40(34-27-17-10-18-28-34)38(36)32-23-13-8-14-24-32/h1-2,7-30H,3-6H2/b2-1-,29-19-,30-20-
InChIKey CJFISCJOUNRMTO-WEKDWVPYSA-N
Molecular Weight 514.712 g/mol
SMILES c12c(c(-c3ccccc3)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)\C=C/CC\C=C/CC\C=C/2
SPLASH splash10-03xr-0001390000-fdb504dd50527536308e
Source of Spectrum F-42-1719-25
Wiley ID 1401255