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3-(5,5-Diethyl-1,1-dioxido-2-phenethyl-1,3-dithian-2-yl)cyclohexan-1-one
SpectraBase Compound ID ADmygemtCYT
InChI InChI=1S/C22H32O3S2/c1-3-21(4-2)16-26-22(27(24,25)17-21,19-11-8-12-20(23)15-19)14-13-18-9-6-5-7-10-18/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3
InChIKey LTKFCLQPIKRIHP-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C22H32O3S2
Exact Mass 408.179287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rwUeaulJwp
Name 3-(5,5-Diethyl-1,1-dioxido-2-phenethyl-1,3-dithian-2-yl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3S2
InChI InChI=1S/C22H32O3S2/c1-3-21(4-2)16-26-22(27(24,25)17-21,19-11-8-12-20(23)15-19)14-13-18-9-6-5-7-10-18/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3
InChIKey LTKFCLQPIKRIHP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403041k
Molecular Weight 408.615 g/mol
SMILES C1(CC)(CSC(S(=O)(C1)=O)(CCc1ccccc1)C1CC(CCC1)=O)CC
SPLASH splash10-0002-4691000000-bf724010e5cd187e26d0
Source of Spectrum A1-16-70/SMS24-3m
Synonyms 3-(5,5-diethyl-1,1-dioxido-2-phenethyl-1,3-dithian-2-yl)cyclohexanone
Wiley ID 1747621