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3-(3-phenylthiopropyl)-2-cyclohexen-1-one
SpectraBase Compound ID 3Zwi989XM7O
InChI InChI=1S/C15H18OS/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-3,9-10,12H,4-8,11H2
InChIKey DXICRMSTSOVGTH-UHFFFAOYSA-N
Mol Weight 246.37 g/mol
Molecular Formula C15H18OS
Exact Mass 246.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K87kbsNI5Aa
Name 3-(3-phenylthiopropyl)-2-cyclohexen-1-one
Alternate Name(s) 3-[3-(phenylsulfanyl)propyl]-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18OS
InChI InChI=1S/C15H18OS/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-3,9-10,12H,4-8,11H2
InChIKey DXICRMSTSOVGTH-UHFFFAOYSA-N
Molecular Weight 246.368 g/mol
SMILES C1=C(CCCC1=O)CCCSc1ccccc1
SPLASH splash10-03di-4910000000-561a580888e1da0c65fb
Source of Spectrum F-48-2038-24
Wiley ID 1249142