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S-(tert-Butyl) [3-oxo-2-(2-pentynyl)cyclopentyl]ethanethioate
SpectraBase Compound ID 2A4TCO0VZwP
InChI InChI=1S/C16H24O2S/c1-5-6-7-8-13-12(9-10-14(13)17)11-15(18)19-16(2,3)4/h12-13H,5,8-11H2,1-4H3
InChIKey IJMILRJXBDCLQT-UHFFFAOYSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FcvMn7jyCp
Name S-(tert-Butyl) [3-oxo-2-(2-pentynyl)cyclopentyl]ethanethioate
CAS Registry Number 68931-52-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-5-6-7-8-13-12(9-10-14(13)17)11-15(18)19-16(2,3)4/h12-13H,5,8-11H2,1-4H3
InChIKey IJMILRJXBDCLQT-UHFFFAOYSA-N
Molecular Weight 280.426 g/mol
SMILES C(#CCC1C(CCC1=O)CC(=O)SC(C)(C)C)CC
SPLASH splash10-00di-7930000000-3c6e548efe3789d7d349
Synonyms (3-Oxo-2-pent-2-ynylcyclopentyl)thioacetic acid, S-t-butyl ester 2-(3-keto-2-pent-2-ynyl-cyclopentyl)ethanethioic acid S-tert-butyl ester 2-(3-oxo-2-pent-2-ynylcyclopentyl)ethanethioic acid S-tert-butyl ester S-tert-butyl 2-(3-oxidanylidene-2-pent-2-ynyl-cyclopentyl)ethanethioate S-tert-butyl 2-(3-oxo-2-pent-2-ynyl-cyclopentyl)ethanethioate
Wiley ID 1481370