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4,4-Ethylenedioxy-3-phenylthiocyclohexanone
SpectraBase Compound ID 68RtL1XsRH5
InChI InChI=1S/C14H16O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-5,13H,6-10H2
InChIKey HJEFEUAZUWPXSA-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C14H16O3S
Exact Mass 264.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxE6bNWG3HP
Name 4,4-Ethylenedioxy-3-phenylthiocyclohexanone
Alternate Name(s) 6-(Phenylsulfanyl)-1,4-dioxaspiro[4.5]decan-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3S
InChI InChI=1S/C14H16O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-5,13H,6-10H2
InChIKey HJEFEUAZUWPXSA-UHFFFAOYSA-N
Molecular Weight 264.339 g/mol
SMILES C12(C(Sc3ccccc3)CC(CC1)=O)OCCO2
SPLASH splash10-0002-9310000000-42d8c7953195b3887332
Source of Spectrum QC-11-4480-13
Wiley ID 860229