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S-(tert-Butyl) [2-(5-hydroxy-2-pentynyl)-3-oxocyclopentyl]ethanethioate
SpectraBase Compound ID 3Ka63RMQlZy
InChI InChI=1S/C16H24O3S/c1-16(2,3)20-15(19)11-12-8-9-14(18)13(12)7-5-4-6-10-17/h12-13,17H,6-11H2,1-3H3
InChIKey QQMVYKDTLXUSHK-UHFFFAOYSA-N
Mol Weight 296.42 g/mol
Molecular Formula C16H24O3S
Exact Mass 296.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDth4YVo5I8
Name S-(tert-Butyl) [2-(5-hydroxy-2-pentynyl)-3-oxocyclopentyl]ethanethioate
Alternate Name(s) 2-[2-(5-hydroxypent-2-ynyl)-3-keto-cyclopentyl]ethanethioic acid S-tert-butyl ester 2-[2-(5-hydroxypent-2-ynyl)-3-oxocyclopentyl]ethanethioic acid S-tert-butyl ester [2-(5-Hydroxypent-2-ynyl)-3-oxocyclopentyl]thioacetic acid, S-t-butyl ester S-tert-butyl 2-[2-(5-hydroxypent-2-ynyl)-3-oxocyclopentyl]ethanethioate S-tert-butyl 2-[2-(5-hydroxypent-2-ynyl)-3-oxo-cyclopentyl]ethanethioate S-tert-butyl 2-[3-oxidanylidene-2-(5-oxidanylpent-2-ynyl)cyclopentyl]ethanethioate
CAS Registry Number 68931-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3S
InChI InChI=1S/C16H24O3S/c1-16(2,3)20-15(19)11-12-8-9-14(18)13(12)7-5-4-6-10-17/h12-13,17H,6-11H2,1-3H3
InChIKey QQMVYKDTLXUSHK-UHFFFAOYSA-N
Molecular Weight 296.425 g/mol
SMILES OCCC#CCC1C(CCC1CC(=O)SC(C)(C)C)=O
SPLASH splash10-0a4u-9710000000-5fba56aa655534ad9c8b
Source of Spectrum CM-1999-12457-0
Wiley ID 474811