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Octanethioic acid, S-hexyl ester
SpectraBase Compound ID G6KJlZNwhHV
InChI InChI=1S/C14H28OS/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3
InChIKey ARKGQSZBBOGCSX-UHFFFAOYSA-N
Mol Weight 244.44 g/mol
Molecular Formula C14H28OS
Exact Mass 244.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YWykXZkjo1
Name Octanethioic acid, S-hexyl ester
Alternate Name(s) S-Hexyl octanethioate Octanethioic acid, hexyl ester Nor-hexyl thiol nor-octanoate
CAS Registry Number 55590-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28OS
InChI InChI=1S/C14H28OS/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3
InChIKey ARKGQSZBBOGCSX-UHFFFAOYSA-N
Molecular Weight 244.437 g/mol
SMILES CCCCCCSC(CCCCCCC)=O
SPLASH splash10-0a6r-9600000000-70e046034384416a57cf
Source of Spectrum EP-1969-0-0
Wiley ID 1247212