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Octanethioic acid S-methyl ester
SpectraBase Compound ID DbgNXX7KCs0
InChI InChI=1S/C9H18OS/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey UKPKZMMTLNIPKR-UHFFFAOYSA-N
Mol Weight 174.3 g/mol
Molecular Formula C9H18OS
Exact Mass 174.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pXwJx1Xvol
Name Octanethioic acid S-methyl ester
CAS Registry Number 2432-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18OS
InChI InChI=1S/C9H18OS/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey UKPKZMMTLNIPKR-UHFFFAOYSA-N
Molecular Weight 174.302 g/mol
SMILES CCCCCCCC(=O)SC
SPLASH splash10-0a4i-9200000000-f124531a709f60d25b9a
Source of Spectrum EP-1958-0-0
Synonyms Octanethioic acid, S-methyl ester S-Methyl octanethioate S-Methyl thiooctanoate
Wiley ID 1170508