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3-(1-Phenylthiobutyl)-2-cyclohexen-1-one
SpectraBase Compound ID KEtRwqepXWO
InChI InChI=1S/C16H20OS/c1-2-7-16(13-8-6-9-14(17)12-13)18-15-10-4-3-5-11-15/h3-5,10-12,16H,2,6-9H2,1H3
InChIKey SEPWLUFZSPQRFQ-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 5vX0Dvjqmg7
Name 3-(1-Phenylthiobutyl)-2-cyclohexen-1-one
Alternate Name(s) 3-[1-(phenylsulfanyl)butyl]-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-2-7-16(13-8-6-9-14(17)12-13)18-15-10-4-3-5-11-15/h3-5,10-12,16H,2,6-9H2,1H3
InChIKey SEPWLUFZSPQRFQ-UHFFFAOYSA-N
Molecular Weight 260.395 g/mol
SMILES C1(=CC(=O)CCC1)C(Sc1ccccc1)CCC
SPLASH splash10-0il0-8950000000-b0f7d0e76c6a2c1a2652
Source of Spectrum F-48-2036-10
Wiley ID 1263974