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Octanethioic acid, S-ethyl ester
SpectraBase Compound ID F0PpLd7UDTH
InChI InChI=1S/C10H20OS/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey QREBDIAGMMUKFO-UHFFFAOYSA-N
Mol Weight 188.33 g/mol
Molecular Formula C10H20OS
Exact Mass 188.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iuz3RYgvYPJ
Name Octanethioic acid, S-ethyl ester
CAS Registry Number 2432-84-0
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20OS
InChI InChI=1S/C10H20OS/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey QREBDIAGMMUKFO-UHFFFAOYSA-N
Molecular Weight 188.329 g/mol
SMILES C(C(SCC)=O)CCCCCC
SPLASH splash10-0a6u-9100000000-ab895ef6e40e676c460f
Source of Spectrum VC-1981-980-0
Synonyms S-Ethyl octanethioate S-Ethyl thiooctanoate
Wiley ID 1215577