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1,4-Dioxaspiro[4.5]decane, 8,8-dimethyl-6-[(phenylthio)methyl]-7-(2-propenyl)-, trans-(.+-.)-
SpectraBase Compound ID AxG4lnIuNJQ
InChI InChI=1S/C20H28O2S/c1-4-8-17-18(15-23-16-9-6-5-7-10-16)20(21-13-14-22-20)12-11-19(17,2)3/h4-7,9-10,17-18H,1,8,11-15H2,2-3H3/t17-,18-/m1/s1
InChIKey KYCOZEIBIDFXMB-QZTJIDSGSA-N
Mol Weight 332.5 g/mol
Molecular Formula C20H28O2S
Exact Mass 332.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT9DGCInbv3
Name 1,4-Dioxaspiro[4.5]decane, 8,8-dimethyl-6-[(phenylthio)methyl]-7-(2-propenyl)-, trans-(.+-.)-
CAS Registry Number 123966-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2S
InChI InChI=1S/C20H28O2S/c1-4-8-17-18(15-23-16-9-6-5-7-10-16)20(21-13-14-22-20)12-11-19(17,2)3/h4-7,9-10,17-18H,1,8,11-15H2,2-3H3/t17-,18-/m1/s1
InChIKey KYCOZEIBIDFXMB-QZTJIDSGSA-N
Molecular Weight 332.502 g/mol
SMILES [C@]1(C2(OCCO2)CCC([C@@]1(CC=C)[H])(C)C)(CSc1ccccc1)[H]
SPLASH splash10-01vk-9450000000-723e4cbb5c7d7f8a61c9
Source of Spectrum F-45-666-18
Synonyms (+-)-3t-allyl-4,4-dimethyl-2r-phenylsulfanylmethyl-cyclohexanone ethane-1,2-diylacetal (+-)-3t-Allyl-4,4-dimethyl-2R-phenylsulfanylmethyl-cyclohexanone ethene-1,2-diylacetal (6R,7R)-7-allyl-8,8-dimethyl-6-[(phenylsulfanyl)methyl]-1,4-dioxaspiro[4.5]decane [(6R,7R)-7-allyl-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-yl]methyl phenyl sulfide
Wiley ID 1329563