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4-Acetylthio-2-hexanone
SpectraBase Compound ID FXiHcPXLzvO
InChI InChI=1S/C8H14O2S/c1-4-8(5-6(2)9)11-7(3)10/h8H,4-5H2,1-3H3
InChIKey PIUGVUPQDIAJRH-UHFFFAOYSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SaesOeZg7V
Name 4-Acetylthio-2-hexanone
Classification Thioesters
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 174.071450863 u
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-4-8(5-6(2)9)11-7(3)10/h8H,4-5H2,1-3H3
InChIKey PIUGVUPQDIAJRH-UHFFFAOYSA-N
Molecular Weight 174.258 g/mol
Number of Peaks 7
SMILES CC(CC(CC)SC(=O)C)=O
SPLASH splash10-0007-9000000000-b0740b0d1b1dfa65ca23
Source of Spectrum FF-30-172-8 (DOI: 10.1002/ffj.3228)
Synonyms S-(5-oxohexan-3-yl) ethanethioate
Wiley ID 1787427