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1-[1-(phenylthio)cyclohexyl]-3-buten-1-one
SpectraBase Compound ID CjhAq4goVpI
InChI InChI=1S/C16H20OS/c1-2-9-15(17)16(12-7-4-8-13-16)18-14-10-5-3-6-11-14/h2-3,5-6,10-11H,1,4,7-9,12-13H2
InChIKey YLIKEQKKVGVGMK-UHFFFAOYSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkGE8maNwWI
Name 1-[1-(phenylthio)cyclohexyl]-3-buten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-2-9-15(17)16(12-7-4-8-13-16)18-14-10-5-3-6-11-14/h2-3,5-6,10-11H,1,4,7-9,12-13H2
InChIKey YLIKEQKKVGVGMK-UHFFFAOYSA-N
Molecular Weight 260.395 g/mol
SMILES C(CC=C)(=O)C1(CCCCC1)Sc1ccccc1
SPLASH splash10-001i-9710000000-262a05db54b7266be18c
Source of Spectrum K-2002-2640-18
Synonyms 1-[1-(phenylthio)cyclohexyl]but-3-en-1-one
Wiley ID 1613261