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3-[3'-(phenylsulfinyl)-prop-2'-enyl]cyclohexanone
SpectraBase Compound ID ACK0rA3cuH2
InChI InChI=1S/C15H18O2S/c16-14-8-4-6-13(12-14)7-5-11-18(17)15-9-2-1-3-10-15/h1-3,5,9-11,13H,4,6-8,12H2/b11-5-
InChIKey KUHAQLAZKBPVAZ-WZUFQYTHSA-N
Mol Weight 262.37 g/mol
Molecular Formula C15H18O2S
Exact Mass 262.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BW5MDaa9Kgw
Name 3-[3'-(phenylsulfinyl)-prop-2'-enyl]cyclohexanone
CAS Registry Number 114678-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2S
InChI InChI=1S/C15H18O2S/c16-14-8-4-6-13(12-14)7-5-11-18(17)15-9-2-1-3-10-15/h1-3,5,9-11,13H,4,6-8,12H2/b11-5-
InChIKey KUHAQLAZKBPVAZ-WZUFQYTHSA-N
Molecular Weight 262.367 g/mol
SMILES C(\C=C/S(=O)c1ccccc1)C1CC(=O)CCC1
SPLASH splash10-06r2-5930000000-9b59d4248a33c919ea25
Source of Spectrum C-110-5421-48
Synonyms 3-[(2Z)-3-(phenylsulfinyl)-2-propenyl]cyclohexanone
Wiley ID 1265778