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2-[(E)-1-acetyl-2-hydroxy-prop-1-enyl]sulfanylcyclohexanone
SpectraBase Compound ID CplUO1uMc1n
InChI InChI=1S/C11H16O3S/c1-7(12)11(8(2)13)15-10-6-4-3-5-9(10)14/h10,12H,3-6H2,1-2H3/b11-7+
InChIKey KBTIYYLKOMSFCP-YRNVUSSQSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7VrfwPI6Ed
Name 2-[(E)-1-acetyl-2-hydroxy-prop-1-enyl]sulfanylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3S
InChI InChI=1S/C11H16O3S/c1-7(12)11(8(2)13)15-10-6-4-3-5-9(10)14/h10,12H,3-6H2,1-2H3/b11-7+
InChIKey KBTIYYLKOMSFCP-YRNVUSSQSA-N
Molecular Weight 228.306 g/mol
SMILES O\C(=C/(SC1C(=O)CCCC1)C(=O)C)C
SPLASH splash10-014j-9000000000-5e2772db34c3b2c8ac1c
Source of Spectrum J-60-6424-16
Synonyms 2-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanylcyclohexan-1-one 2-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanylcyclohexan-1-one 2-[[(E)-1-acetyl-2-hydroxy-prop-1-enyl]thio]cyclohexanone 2-[[(E)-2-hydroxy-4-oxopent-2-en-3-yl]thio]-1-cyclohexanone
Wiley ID 1229372