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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 KIznMQFM8g8
Name 4-Acetylthio-2-hexanone
Alternate Name(s) S-(5-oxohexan-3-yl) ethanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/ffj.3228
Molecular Weight 174.258 g/mol
SMILES CC(CC(CC)SC(=O)C)=O
SPLASH splash10-0007-9000000000-b0740b0d1b1dfa65ca23
Source of Spectrum FF-30-172-8
Wiley ID 1787427