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Thioacetic acid, S-octyl ester
SpectraBase Compound ID tJT5eFTAGT
InChI InChI=1S/C10H20OS/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKey NQMNVUDCUZKJRL-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 EGAoFhtrRTh
Name Acetic acid, thio-, S-octyl ester
CAS Registry Number 2432-34-0
Comments Less than 3 mono-isotopic peaks
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Formula C10H20OS
InChI InChI=1S/C10H20OS/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKey NQMNVUDCUZKJRL-UHFFFAOYSA-N
Molecular Weight 188.329 g/mol
SMILES C(=O)(SCCCCCCCC)C
SPLASH splash10-0002-0900000000-306272d7df1ee9729d89
Source of Spectrum F4-40-3629-4i
Synonyms S-Octyl Thioacetate Ethanethioic acid, S-octyl ester S-Octyl ethanethioate
Wiley ID 1671256