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 Google Search
Mol Weight	228.31 g/mol
Molecular Formula	C11H16O3S
Exact Mass	228.082016 g/mol

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SpectraBase Spectrum ID	C7VrfwPI6Ed
Name	2-[(E)-1-acetyl-2-hydroxy-prop-1-enyl]sulfanylcyclohexanone
Alternate Name(s)	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
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
Wiley ID	1229372