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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 9lmKcmDaGQE
Name [2-(5-HYDROXYPENT-2-ENYL)-3-OXOCYCLOPENTYL]THIOACETIC ACID, S-tert-BUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 298.1596
SMILES OCC\C=C/CC1C(CC(SC(C)(C)C)=O)CCC1=O
SPLASH splash10-0a4l-9710000000-8856d3d2a385782c53fe
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany