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Hexanethioic acid, S-methyl ester
SpectraBase Compound ID 7HpZgoLePEO
InChI InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey AKGAHYLJHAOPKQ-UHFFFAOYSA-N
Mol Weight 146.25 g/mol
Molecular Formula C7H14OS
Exact Mass 146.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOxXUitL4ut
Name Hexanethioic acid, S-methyl ester
CAS Registry Number 2432-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14OS
InChI InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey AKGAHYLJHAOPKQ-UHFFFAOYSA-N
Molecular Weight 146.248 g/mol
SMILES C(CCCCC)(=O)SC
SPLASH splash10-0007-9000000000-afb7d31e860cc6c33718
Source of Spectrum F9-1991-197-0
Synonyms S-Methyl hexanethioate Hexanethioic acid S-methyl ester Methanethiol caproate EINECS 219-410-8
Wiley ID 1566345