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3-Methyl-1,1-bis[phenylthio]pentane
SpectraBase Compound ID 95OY9eShPq0
InChI InChI=1S/C18H22S2/c1-3-15(2)14-18(19-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3
InChIKey CYNNWSCBLILHJC-UHFFFAOYSA-N
Mol Weight 302.49 g/mol
Molecular Formula C18H22S2
Exact Mass 302.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1CjHjvuL32
Name 3-Methyl-1,1-bis[phenylthio]pentane
CAS Registry Number 105858-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22S2
InChI InChI=1S/C18H22S2/c1-3-15(2)14-18(19-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3
InChIKey CYNNWSCBLILHJC-UHFFFAOYSA-N
Molecular Weight 302.494 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)CC(CC)C
SPLASH splash10-00di-0920000000-59c55396a371b51c427a
Source of Spectrum K-120-173-8
Synonyms {[3-methyl-1-(phenylsulfanyl)pentyl]sulfanyl}benzene
Wiley ID 1304859