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(3-Oxocyclopentyl)thioacetic acid, S-t-butyl ester
SpectraBase Compound ID JKLluQBHgbC
InChI InChI=1S/C11H18O2S/c1-11(2,3)14-10(13)7-8-4-5-9(12)6-8/h8H,4-7H2,1-3H3
InChIKey QEHWLSPXNXNDOA-UHFFFAOYSA-N
Mol Weight 214.32 g/mol
Molecular Formula C11H18O2S
Exact Mass 214.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0XxZGexocS
Name (3-Oxocyclopentyl)thioacetic acid, S-t-butyl ester
CAS Registry Number 68931-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2S
InChI InChI=1S/C11H18O2S/c1-11(2,3)14-10(13)7-8-4-5-9(12)6-8/h8H,4-7H2,1-3H3
InChIKey QEHWLSPXNXNDOA-UHFFFAOYSA-N
Molecular Weight 214.323 g/mol
SMILES C1(=O)CC(CC1)CC(=O)SC(C)(C)C
SPLASH splash10-0a4i-9100000000-38d01b068aac25a3f18f
Synonyms 2-(3-ketocyclopentyl)ethanethioic acid S-tert-butyl ester 2-(3-oxocyclopentyl)ethanethioic acid S-tert-butyl ester S-(tert-Butyl) (3-oxocyclopentyl)ethanethioate S-tert-butyl 2-(3-oxidanylidenecyclopentyl)ethanethioate S-tert-butyl 2-(3-oxocyclopentyl)ethanethioate
Wiley ID 1480962