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rac-4-Mercapto-2-hexanone
SpectraBase Compound ID KVWK2FQwK07
InChI InChI=1S/C6H12OS/c1-3-6(8)4-5(2)7/h6,8H,3-4H2,1-2H3
InChIKey YOCURLWEIKERNU-UHFFFAOYSA-N
Mol Weight 132.22 g/mol
Molecular Formula C6H12OS
Exact Mass 132.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzvHNLlZuxP
Name rac-4-Mercapto-2-hexanone
Classification Ketones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 132.060886179 u
Formula C6H12OS
InChI InChI=1S/C6H12OS/c1-3-6(8)4-5(2)7/h6,8H,3-4H2,1-2H3
InChIKey YOCURLWEIKERNU-UHFFFAOYSA-N
Molecular Weight 132.221 g/mol
Number of Peaks 12
SMILES SC(CC(C)=O)CC
SPLASH splash10-0006-9000000000-acc00f0f1babc25d1eaa
Source of Spectrum FF-30-173-2 (DOI: 10.1002/ffj.3228)
Synonyms 4-Mercaptohexan-2-one
Wiley ID 1787425