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S-(tert-Butyl) (2-[(2Z)-5-hydroxy-2-pentenyl]-3-oxocyclopentyl)ethanethioate
SpectraBase Compound ID LfcRPMrMNZa
InChI InChI=1S/C16H26O3S/c1-16(2,3)20-15(19)11-12-8-9-14(18)13(12)7-5-4-6-10-17/h4-5,12-13,17H,6-11H2,1-3H3/b5-4-
InChIKey ORQKWNTVTMOFTK-PLNGDYQASA-N
Mol Weight 298.44 g/mol
Molecular Formula C16H26O3S
Exact Mass 298.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzthXewMXaK
Name S-(tert-Butyl) (2-[(2Z)-5-hydroxy-2-pentenyl]-3-oxocyclopentyl)ethanethioate
Alternate Name(s) [2-(5-Hydroxypent-2-enyl)-3-oxocyclopentyl]thioacetic acid, S-t-butyl ester 2-[2-[(Z)-5-hydroxypent-2-enyl]-3-keto-cyclopentyl]ethanethioic acid S-tert-butyl ester 2-[2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]ethanethioic acid S-tert-butyl ester S-tert-butyl 2-[2-[(Z)-5-hydroxypent-2-enyl]-3-oxo-cyclopentyl]ethanethioate S-tert-butyl 2-[3-oxidanylidene-2-[(Z)-5-oxidanylpent-2-enyl]cyclopentyl]ethanethioate
CAS Registry Number 68931-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O3S
InChI InChI=1S/C16H26O3S/c1-16(2,3)20-15(19)11-12-8-9-14(18)13(12)7-5-4-6-10-17/h4-5,12-13,17H,6-11H2,1-3H3/b5-4-
InChIKey ORQKWNTVTMOFTK-PLNGDYQASA-N
Molecular Weight 298.441 g/mol
SMILES OCC\C=C/CC1C(CCC1CC(=O)SC(C)(C)C)=O
SPLASH splash10-0a4l-9710000000-acd1b9e5a5e9d26f54e6
Wiley ID 1479857