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[4-(mercaptomethyl)-1-triphenylenyl]methanethiol
SpectraBase Compound ID AOUEppxHhpK
InChI InChI=1S/C20H16S2/c21-11-13-9-10-14(12-22)20-18-8-4-2-6-16(18)15-5-1-3-7-17(15)19(13)20/h1-10,21-22H,11-12H2
InChIKey RVCFKUAOCQAUJI-UHFFFAOYSA-N
Mol Weight 320.47 g/mol
Molecular Formula C20H16S2
Exact Mass 320.069343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IG40hiSqerL
Name [4-(mercaptomethyl)-1-triphenylenyl]methanethiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16S2
InChI InChI=1S/C20H16S2/c21-11-13-9-10-14(12-22)20-18-8-4-2-6-16(18)15-5-1-3-7-17(15)19(13)20/h1-10,21-22H,11-12H2
InChIKey RVCFKUAOCQAUJI-UHFFFAOYSA-N
Molecular Weight 320.468 g/mol
SMILES SCc1c2c(c(CS)cc1)c1c(c3ccccc23)cccc1
SPLASH splash10-000f-0091000000-afe71c6a4efeae43b67d
Source of Spectrum J-62-4503-8
Synonyms [4-(mercaptomethyl)triphenylen-1-yl]methanethiol [4-(sulfanylmethyl)triphenylen-1-yl]methanethiol
Wiley ID 1320339