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Benzo[b]triphenylene, 9,14-bis[4-(methylthio)phenyl]-
SpectraBase Compound ID 2gQnjNm2JCP
InChI InChI=1S/C36H26S2/c1-37-25-19-15-23(16-20-25)33-31-13-7-8-14-32(31)34(24-17-21-26(38-2)22-18-24)36-30-12-6-4-10-28(30)27-9-3-5-11-29(27)35(33)36/h3-22H,1-2H3
InChIKey XBASJOKFFPBSOX-UHFFFAOYSA-N
Mol Weight 522.7 g/mol
Molecular Formula C36H26S2
Exact Mass 522.147593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKSnkJKF4qp
Name Benzo[b]triphenylene, 9,14-bis[4-(methylthio)phenyl]-
CAS Registry Number 131273-86-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H26S2
InChI InChI=1S/C36H26S2/c1-37-25-19-15-23(16-20-25)33-31-13-7-8-14-32(31)34(24-17-21-26(38-2)22-18-24)36-30-12-6-4-10-28(30)27-9-3-5-11-29(27)35(33)36/h3-22H,1-2H3
InChIKey XBASJOKFFPBSOX-UHFFFAOYSA-N
Molecular Weight 522.724 g/mol
SMILES c12c(c(-c3ccc(cc3)SC)c3c(c1-c1ccc(cc1)SC)cccc3)c1ccccc1c1c2cccc1
SPLASH splash10-00di-0000090000-0826a13507358c930e55
Source of Spectrum J-56-694-6
Synonyms 9,14-bis[4-(methylsulfanyl)phenyl]benzo[b]triphenylene 9,14-Bis[4-(methylthio)phenyl]benzo[b]triphenylene
Wiley ID 1402338