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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 G1AYpmrFFXe
Name (3-OXO-2-PENT-2-YNYLCYCLOPENTYL)THIOACETIC ACID, S-tert-BUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 280.1491
SMILES C1CC(=O)C(CC#CCC)C1CC(SC(C)(C)C)=O
SPLASH splash10-00di-7930000000-8ec7ae23b0db0fec0f03
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany