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1,4-Dioxaspiro[4.5]decane, 8,8-dimethyl-6-[(phenylthio)methyl]-7-(2-propenyl)-, cis-(.+-.)-
SpectraBase Compound ID D6LvmEoVyJs
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+/m0/s1
InChIKey KYCOZEIBIDFXMB-ZWKOTPCHSA-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 5xNKIeCPqKu
Name 1,4-Dioxaspiro[4.5]decane, 8,8-dimethyl-6-[(phenylthio)methyl]-7-(2-propenyl)-, cis-(.+-.)-
Alternate Name(s) (+-)-3c-allyl-4,4-dimethyl-2R-phenylsulfanylmethyl-cyclohexanone ethane-1,2-diylacetal (6R,7S)-7-allyl-8,8-dimethyl-6-[(phenylsulfanyl)methyl]-1,4-dioxaspiro[4.5]decane [(6R,7S)-7-allyl-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-yl]methyl phenyl sulfide
CAS Registry Number 123966-69-8
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+/m0/s1
InChIKey KYCOZEIBIDFXMB-ZWKOTPCHSA-N
Molecular Weight 332.502 g/mol
SMILES [C@]1(C2(OCCO2)CCC([C@]1(CC=C)[H])(C)C)(CSc1ccccc1)[H]
SPLASH splash10-001i-9000000000-2446e453c7eb15f0b4e1
Source of Spectrum F-45-666-19
Wiley ID 1329564