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(3R,4S,5R)-3,4,5-trimethyl-2-thiolanone

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

(3R,4S,5R)-3,4,5-trimethyl-2-thiolanone
SpectraBase Compound ID JIJ79bDJCrt
InChI InChI=1S/C7H12OS/c1-4-5(2)7(8)9-6(4)3/h4-6H,1-3H3/t4-,5+,6+/m0/s1
InChIKey QSMKFHXSSPGPGX-KVQBGUIXSA-N
Mol Weight 144.23 g/mol
Molecular Formula C7H12OS
Exact Mass 144.060886 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H5Z9lK9vVnZ
Name (3R,4S,5R)-3,4,5-Trimethyl-2-thiolanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 144.060886179 u
Formula C7H12OS
InChI InChI=1S/C7H12OS/c1-4-5(2)7(8)9-6(4)3/h4-6H,1-3H3/t4-,5+,6+/m0/s1
InChIKey QSMKFHXSSPGPGX-KVQBGUIXSA-N
Molecular Weight 144.232 g/mol
SMILES C1(S[C@](C)([C@]([C@]1(C)[H])(C)[H])[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833796