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Pentacene, 6,13-dimethoxy-5,7,12,14-tetraphenyl-
SpectraBase Compound ID 6WKRAGZxvqy
InChI InChI=1S/C48H34O2/c1-49-47-43-39(31-19-7-3-8-20-31)35-27-15-17-29-37(35)41(33-23-11-5-12-24-33)45(43)48(50-2)46-42(34-25-13-6-14-26-34)38-30-18-16-28-36(38)40(44(46)47)32-21-9-4-10-22-32/h3-30H,1-2H3
InChIKey QXFWFCMSDHZYOP-UHFFFAOYSA-N
Mol Weight 642.8 g/mol
Molecular Formula C48H34O2
Exact Mass 642.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dnq58Ig1wl
Name Pentacene, 6,13-dimethoxy-5,7,12,14-tetraphenyl-
CAS Registry Number 115695-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H34O2
InChI InChI=1S/C48H34O2/c1-49-47-43-39(31-19-7-3-8-20-31)35-27-15-17-29-37(35)41(33-23-11-5-12-24-33)45(43)48(50-2)46-42(34-25-13-6-14-26-34)38-30-18-16-28-36(38)40(44(46)47)32-21-9-4-10-22-32/h3-30H,1-2H3
InChIKey QXFWFCMSDHZYOP-UHFFFAOYSA-N
Molecular Weight 642.798 g/mol
SMILES c12c(c(-c3ccccc3)c3c(c1-c1ccccc1)cccc3)c(OC)c1c(c2OC)c(c2c(cccc2)c1-c1ccccc1)-c1ccccc1
SPLASH splash10-0udi-0090010000-d8b34746a30ecc6f790c
Source of Spectrum F-43-5216-0
Synonyms 6,13-Dimethoxy-5,7,12,14-tetraphenylpentacene
Wiley ID 1412777