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(4S)-3-ethylthio-4-methyl-2-hexanone
SpectraBase Compound ID 9AGJhpmrMvL
InChI InChI=1S/C9H18OS/c1-5-7(3)9(8(4)10)11-6-2/h7,9H,5-6H2,1-4H3/t7-,9?/m0/s1
InChIKey QMPBLSGEYJSGKL-JAVCKPHESA-N
Mol Weight 174.3 g/mol
Molecular Formula C9H18OS
Exact Mass 174.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMlK1C4mQNp
Name (4S)-3-ethylthio-4-methyl-2-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18OS
InChI InChI=1S/C9H18OS/c1-5-7(3)9(8(4)10)11-6-2/h7,9H,5-6H2,1-4H3/t7-,9?/m0/s1
InChIKey QMPBLSGEYJSGKL-JAVCKPHESA-N
Ionization Type EI
Molecular Weight 174.302 g/mol
SMILES CC(C([C@](CC)(C)[H])SCC)=O
SPLASH splash10-00o0-9700000000-987729af242e6d24c6a0
Sample Comments Diastereomeric mixture
Source of Spectrum JP2010100569A
Wiley ID 1841943