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(+-)-(2.XI.)-3t-allyl-2r-[(.XI.)-benzenesulfinylmethyl]-4,4-dimethyl-cyclohexanone ethane-1,2-diyl acetal
SpectraBase Compound ID 5PNP91kgz1b
InChI InChI=1S/C20H28O3S/c1-4-8-17-18(15-24(21)16-9-6-5-7-10-16)20(22-13-14-23-20)12-11-19(17,2)3/h4-7,9-10,17-18H,1,8,11-15H2,2-3H3/t17-,18-,24?/m1/s1
InChIKey POBNUAKFMXFFKA-HPGOHTHCSA-N
Mol Weight 348.5 g/mol
Molecular Formula C20H28O3S
Exact Mass 348.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ivIKnw7HKI
Name (+-)-(2.XI.)-3t-allyl-2r-[(.XI.)-benzenesulfinylmethyl]-4,4-dimethyl-cyclohexanone ethane-1,2-diyl acetal
CAS Registry Number 123966-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3S
InChI InChI=1S/C20H28O3S/c1-4-8-17-18(15-24(21)16-9-6-5-7-10-16)20(22-13-14-23-20)12-11-19(17,2)3/h4-7,9-10,17-18H,1,8,11-15H2,2-3H3/t17-,18-,24?/m1/s1
InChIKey POBNUAKFMXFFKA-HPGOHTHCSA-N
Molecular Weight 348.501 g/mol
SMILES [C@]1(C2(OCCO2)CCC([C@@]1(CC=C)[H])(C)C)(CS(=O)c1ccccc1)[H]
SPLASH splash10-0002-9041000000-dcbe2b29a052191bf92f
Source of Spectrum F-45-666-18
Synonyms (+-)-(2.XI.)-3t-Allyl-2R-[(.XI.)-benzenesulfinylmethylk]-4,4-dimethyl-cyclohexanone ethane-1,2-diyl acetal (6R,7R)-7-allyl-8,8-dimethyl-6-[(phenylsulfinyl)methyl]-1,4-dioxaspiro[4.5]decane [(6R,7R)-7-allyl-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-yl]methyl phenyl sulfoxide
Wiley ID 1340687