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2,8-bis(p-tolylsulfanyl)dibenzothiophene
SpectraBase Compound ID 1KepssiRRZU
InChI InChI=1S/C26H20S3/c1-17-3-7-19(8-4-17)27-21-11-13-25-23(15-21)24-16-22(12-14-26(24)29-25)28-20-9-5-18(2)6-10-20/h3-16H,1-2H3
InChIKey JOJKLQQIMDEVRI-UHFFFAOYSA-N
Mol Weight 428.63 g/mol
Molecular Formula C26H20S3
Exact Mass 428.072714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SyHMXFxp7V
Name 2,8-bis(p-tolylsulfanyl)dibenzothiophene
CAS Registry Number 113538-39-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20S3
InChI InChI=1S/C26H20S3/c1-17-3-7-19(8-4-17)27-21-11-13-25-23(15-21)24-16-22(12-14-26(24)29-25)28-20-9-5-18(2)6-10-20/h3-16H,1-2H3
InChIKey JOJKLQQIMDEVRI-UHFFFAOYSA-N
Molecular Weight 428.626 g/mol
SMILES c12sc3c(c2cc(Sc2ccc(cc2)C)cc1)cc(cc3)Sc1ccc(cc1)C
SPLASH splash10-004j-0004900000-e4056318ab98fb9f7141
Source of Spectrum Y-24-754-28
Synonyms 2,8-bis(p-tolylthio)dibenzothiophene 2,8-bis[(4-methylphenyl)sulfanyl]dibenzothiophene 2,8-bis[(4-methylphenyl)thio]dibenzothiophene
Wiley ID 1380775