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2-Octenethioic acid, S-methyl ester, (E)-
SpectraBase Compound ID 8SM9b6Mr0Xc
InChI InChI=1S/C9H16OS/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey FCLRSLXQHQQACT-BQYQJAHWSA-N
Mol Weight 172.29 g/mol
Molecular Formula C9H16OS
Exact Mass 172.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3e8FOh2sH9j
Name 2-Octenethioic acid, S-methyl ester, (E)-
CAS Registry Number 91944-66-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16OS
InChI InChI=1S/C9H16OS/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey FCLRSLXQHQQACT-BQYQJAHWSA-N
Molecular Weight 172.286 g/mol
SMILES C(\C=C\CCCCC)(=O)SC
SPLASH splash10-056r-9200000000-1197a221cfd07057c85f
Source of Spectrum B-37-1193-0
Synonyms S-methyl (2E)-2-octenethioate S-methyl(E)-oct-2-enethioate
Wiley ID 1168649