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(S)-5-Methoxy-6-((1S,2S)-1-methoxy-2-p-tolylsulfanyl-cyclopentyl)-2,2-dimethyl-hexan-3-one
SpectraBase Compound ID 5DCpWy05xXs
InChI InChI=1S/C22H34O3S/c1-16-9-11-18(12-10-16)26-20-8-7-13-22(20,25-6)15-17(24-5)14-19(23)21(2,3)4/h9-12,17,20H,7-8,13-15H2,1-6H3/t17-,20+,22+/m1/s1
InChIKey LXEPLEHQBVHFSD-AGHHOFFYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C22H34O3S
Exact Mass 378.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vAvGde0y8
Name (S)-5-Methoxy-6-((1S,2S)-1-methoxy-2-p-tolylsulfanyl-cyclopentyl)-2,2-dimethyl-hexan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3S
InChI InChI=1S/C22H34O3S/c1-16-9-11-18(12-10-16)26-20-8-7-13-22(20,25-6)15-17(24-5)14-19(23)21(2,3)4/h9-12,17,20H,7-8,13-15H2,1-6H3/t17-,20+,22+/m1/s1
InChIKey LXEPLEHQBVHFSD-AGHHOFFYSA-N
Molecular Weight 378.571 g/mol
SMILES [C@]1(C[C@@](CC(C(C)(C)C)=O)(OC)[H])([C@@](Sc2ccc(cc2)C)(CCC1)[H])OC
SPLASH splash10-00dr-0592000000-029b9185b5e7bd998e35
Source of Spectrum QF-49-96-27
Synonyms Z-(1-(5',5'-Dimethyl-2'-methoxy-4'-oxohexyl)-1-methoxy-2-(4-tolylthio)cyclopentane (1S,2S)-1-((S)-5',5'-Dimethyl-2'-methoxy-4'-oxohexyl)-1-methoxy-2-(4''-tolylthio)cyclopentane (5S)-5-methoxy-6-{(1S,2S)-1-methoxy-2-[(4-methylphenyl)sulfanyl]cyclopentyl}-2,2-dimethyl-3-hexanone 1-(5',5'-Dimethyl-2'-methoxy-4'-oxohexyl)-1-methoxy-2-(4''-tolylthio)cyclopentane
Wiley ID 1547870