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

*Links on SpectraBase are not permalinks.
3b,4,5,5a-tetrahydro-4,5-diphenylcyclobuta[e]pyren
SpectraBase Compound ID KxGOGtFotc2
InChI InChI=1S/C30H22/c1-3-9-19(10-4-1)27-28(20-11-5-2-6-12-20)30-24-16-8-14-22-18-17-21-13-7-15-23(29(27)30)25(21)26(22)24/h1-18,27-30H
InChIKey ATHGSRRVJAFRFK-UHFFFAOYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C30H22
Exact Mass 382.172151 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 9dDWGMmmoW4
Name 3b,4,5,5a-tetrahydro-4,5-diphenylcyclobuta[e]pyren
CAS Registry Number 100603-83-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22
InChI InChI=1S/C30H22/c1-3-9-19(10-4-1)27-28(20-11-5-2-6-12-20)30-24-16-8-14-22-18-17-21-13-7-15-23(29(27)30)25(21)26(22)24/h1-18,27-30H
InChIKey ATHGSRRVJAFRFK-UHFFFAOYSA-N
Molecular Weight 382.506 g/mol
SMILES C12C(c3cccc4c3c3c2cccc3cc4)C(C1c1ccccc1)c1ccccc1
SPLASH splash10-0udi-0090000000-ff29f490dc2f79d08da5
Source of Spectrum K-119-1714-16
Synonyms 9,10-diphenyl-8b,9,10,10a-tetrahydrocyclobuta[e]pyrene
Wiley ID 1360935