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trans,trans-0,0'-bis-(2-2-benzo(c)phenanthryl)vinyl)biphenyl
SpectraBase Compound ID CQjVztg7IqS
InChI InChI=1S/C52H34/c1-5-13-45(37(9-1)21-17-35-19-23-41-27-31-43-29-25-39-11-3-7-15-47(39)51(43)49(41)33-35)46-14-6-2-10-38(46)22-18-36-20-24-42-28-32-44-30-26-40-12-4-8-16-48(40)52(44)50(42)34-36/h1-34H/b21-17+,22-18+
InChIKey PZCCUENBZBYEJI-KSTNYAOJSA-N
Mol Weight 658.8 g/mol
Molecular Formula C52H34
Exact Mass 658.266051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQzAeRc5vVH
Name trans,trans-0,0'-bis-(2-2-benzo(c)phenanthryl)vinyl)biphenyl
Alternate Name(s) 2-((E)-2-{2'-[(E)-2-benzo[c]phenanthren-2-ylethenyl][1,1'-biphenyl]-2-yl}ethenyl)benzo[c]phenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H34
InChI InChI=1S/C52H34/c1-5-13-45(37(9-1)21-17-35-19-23-41-27-31-43-29-25-39-11-3-7-15-47(39)51(43)49(41)33-35)46-14-6-2-10-38(46)22-18-36-20-24-42-28-32-44-30-26-40-12-4-8-16-48(40)52(44)50(42)34-36/h1-34H/b21-17+,22-18+
InChIKey PZCCUENBZBYEJI-KSTNYAOJSA-N
Molecular Weight 658.844 g/mol
SMILES c12c3c4c(cccc4)ccc3ccc1ccc(\C=C\c1c(-c3c(\C=C\c4cc5c6c7c(cccc7)ccc6ccc5cc4)cccc3)cccc1)c2
SPLASH splash10-004i-0900000000-f5547cfd7ad9f67c9b5c
Source of Spectrum KC-1977-268-273
Wiley ID 1413515