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Pentanal, 2-methyl-2,5-bis(phenylthio)-
SpectraBase Compound ID 5E7LlAgTTJl
InChI InChI=1S/C18H20OS2/c1-18(15-19,21-17-11-6-3-7-12-17)13-8-14-20-16-9-4-2-5-10-16/h2-7,9-12,15H,8,13-14H2,1H3
InChIKey KBJRBISPDGKVBC-UHFFFAOYSA-N
Mol Weight 316.48 g/mol
Molecular Formula C18H20OS2
Exact Mass 316.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpRoXOXkqlM
Name Pentanal, 2-methyl-2,5-bis(phenylthio)-
CAS Registry Number 104354-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20OS2
InChI InChI=1S/C18H20OS2/c1-18(15-19,21-17-11-6-3-7-12-17)13-8-14-20-16-9-4-2-5-10-16/h2-7,9-12,15H,8,13-14H2,1H3
InChIKey KBJRBISPDGKVBC-UHFFFAOYSA-N
Molecular Weight 316.477 g/mol
SMILES C(Sc1ccccc1)(C=O)(CCCSc1ccccc1)C
SPLASH splash10-0a4i-0911000000-f899d649753cdcae0841
Source of Spectrum AJ-58-2854-5
Synonyms 2-Methyl-2,5-bis(phenylsulfanyl)pentanal 2-Methyl-2,5-bis(phenylthio)pentanal
Wiley ID 1316748