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Cyclohexanecarbothioic acid, 2-oxo-, S-ethyl ester
SpectraBase Compound ID 1BnTbuiGnsY
InChI InChI=1S/C9H14O2S/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
InChIKey VEPRQQBERCCWRX-UHFFFAOYSA-N
Mol Weight 186.27 g/mol
Molecular Formula C9H14O2S
Exact Mass 186.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZAkSCi7EQm
Name Cyclohexanecarbothioic acid, 2-oxo-, S-ethyl ester
Alternate Name(s) Ethyl 2-oxothiolcyclohexanecarboxylate S-ethyl 2-oxocyclohexanecarbothioate
CAS Registry Number 71687-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2S
InChI InChI=1S/C9H14O2S/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
InChIKey VEPRQQBERCCWRX-UHFFFAOYSA-N
Molecular Weight 186.269 g/mol
SMILES C1(C(=O)SCC)C(=O)CCCC1
SPLASH splash10-01b9-9000000000-a98e32117bbd77301b0f
Source of Spectrum J-45-2771-0
Wiley ID 1182470