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(4S)-4-methyl-3-isovalerylthio-2-hexanone
SpectraBase Compound ID 8yDzVIiwpV3
InChI InChI=1S/C12H22O2S/c1-6-9(4)12(10(5)13)15-11(14)7-8(2)3/h8-9,12H,6-7H2,1-5H3/t9-,12?/m0/s1
InChIKey KSXZLGLKCDBZCV-QHGLUPRGSA-N
Mol Weight 230.37 g/mol
Molecular Formula C12H22O2S
Exact Mass 230.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BS9V907jFaK
Name (4S)-4-methyl-3-isovalerylthio-2-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2S
InChI InChI=1S/C12H22O2S/c1-6-9(4)12(10(5)13)15-11(14)7-8(2)3/h8-9,12H,6-7H2,1-5H3/t9-,12?/m0/s1
InChIKey KSXZLGLKCDBZCV-QHGLUPRGSA-N
Ionization Type EI
Molecular Weight 230.366 g/mol
SMILES CC(C([C@](CC)(C)[H])SC(=O)CC(C)C)=O
SPLASH splash10-000i-9100000000-00d908ade12b1434c9e7
Sample Comments Diastereomeric mixture
Source of Spectrum JP2010100570A
Wiley ID 1841997