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(E/Z)-Ethyl 2-(n-Hexylthiomethylene)cyclopentanone-5-acetate
SpectraBase Compound ID K46v4aoCxAP
InChI InChI=1S/C16H26O3S/c1-3-5-6-7-10-20-12-14-9-8-13(16(14)18)11-15(17)19-4-2/h12-13H,3-11H2,1-2H3/b14-12+
InChIKey GUAIRUXDRKIWNL-WYMLVPIESA-N
Mol Weight 298.44 g/mol
Molecular Formula C16H26O3S
Exact Mass 298.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJXhNabcUb2
Name (E/Z)-Ethyl 2-(n-Hexylthiomethylene)cyclopentanone-5-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O3S
InChI InChI=1S/C16H26O3S/c1-3-5-6-7-10-20-12-14-9-8-13(16(14)18)11-15(17)19-4-2/h12-13H,3-11H2,1-2H3/b14-12+
InChIKey GUAIRUXDRKIWNL-WYMLVPIESA-N
Molecular Weight 298.441 g/mol
SMILES C1(\C(CCC1CC(=O)OCC)=C\SCCCCCC)=O
SPLASH splash10-0fsa-0950000000-8a1f16fbe2e190c5eff7
Source of Spectrum C4-33-855-2
Synonyms Ethyl {(3E)-3-[(hexylsulfanyl)methylene]-2-oxocyclopentyl}acetate
Wiley ID 1520160