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Benzo[1,2,3-bc:4,5,6-b'c']dicoronene

View entire compound with spectra: 2 MS (GC)

Benzo[1,2,3-bc:4,5,6-b'c']dicoronene
SpectraBase Compound ID FWvzQArTCzu
InChI InChI=1S/C48H20/c1-5-23-9-13-27-17-31-33-19-29-15-11-25-7-3-22-4-8-26-12-16-30-20-34(46(33)48-43(29)39(25)36(22)40(26)44(30)48)32-18-28-14-10-24-6-2-21(1)35-37(23)41(27)47(45(31)32)42(28)38(24)35/h1-20H
InChIKey QOPWDVCEMZLGPK-UHFFFAOYSA-N
Mol Weight 596.7 g/mol
Molecular Formula C48H20
Exact Mass 596.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 391y0OszV90
Name Benzo[1,2,3-bc:4,5,6-b'c']dicoronene
CAS Registry Number 98570-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H20
InChI InChI=1S/C48H20/c1-5-23-9-13-27-17-31-33-19-29-15-11-25-7-3-22-4-8-26-12-16-30-20-34(46(33)48-43(29)39(25)36(22)40(26)44(30)48)32-18-28-14-10-24-6-2-21(1)35-37(23)41(27)47(45(31)32)42(28)38(24)35/h1-20H
InChIKey QOPWDVCEMZLGPK-UHFFFAOYSA-N
Molecular Weight 596.688 g/mol
SMILES c1c2c3c4c(cc2)ccc2c4c4c(cc5c6c4c3c(cc6c3cc4c6c7c3c5cc3c7c5c(ccc7c5c6c(cc7)cc4)cc3)c1)cc2
SPLASH splash10-0002-0070090000-6cea98e59cc7e6b56511
Wiley ID 1492683