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(5S)-3-(cyclohexylthio)-5-ethyl-2-oxolanone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(5S)-3-(cyclohexylthio)-5-ethyl-2-oxolanone
SpectraBase Compound ID IyDFfcokXA5
InChI InChI=1S/C12H20O2S/c1-2-9-8-11(12(13)14-9)15-10-6-4-3-5-7-10/h9-11H,2-8H2,1H3/t9-,11?/m0/s1
InChIKey VKVBTVGWPFJGEA-FTNKSUMCSA-N
Mol Weight 228.35 g/mol
Molecular Formula C12H20O2S
Exact Mass 228.118401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LvxpGlE5Kag
Name (5S)-3-(Cyclohexylthio)-5-ethyl-2-oxolanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.118401056 u
Formula C12H20O2S
InChI InChI=1S/C12H20O2S/c1-2-9-8-11(12(13)14-9)15-10-6-4-3-5-7-10/h9-11H,2-8H2,1H3/t9-,11?/m0/s1
InChIKey VKVBTVGWPFJGEA-FTNKSUMCSA-N
Molecular Weight 228.350 g/mol
SMILES C1(O[C@@](CC)(CC1SC1CCCCC1)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858183