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(4S,5R)-2,2-dimethyl-4-phenyl-5-[(1R)-2-(p-tolylsulfanyl)cyclopent-2-en-1-yl]-1,3-dioxane

View entire compound with spectra: 1 MS (GC)

(4S,5R)-2,2-dimethyl-4-phenyl-5-[(1R)-2-(p-tolylsulfanyl)cyclopent-2-en-1-yl]-1,3-dioxane
SpectraBase Compound ID L4Gldn1twuF
InChI InChI=1S/C24H28O2S/c1-17-12-14-19(15-13-17)27-22-11-7-10-20(22)21-16-25-24(2,3)26-23(21)18-8-5-4-6-9-18/h4-6,8-9,11-15,20-21,23H,7,10,16H2,1-3H3/t20-,21+,23-/m1/s1
InChIKey VQRQQXGQMAOFAZ-FUPPJEDESA-N
Mol Weight 380.55 g/mol
Molecular Formula C24H28O2S
Exact Mass 380.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVxjVl1F1j4
Name (4S,5R)-2,2-dimethyl-4-phenyl-5-[(1R)-2-(p-tolylsulfanyl)cyclopent-2-en-1-yl]-1,3-dioxane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O2S
InChI InChI=1S/C24H28O2S/c1-17-12-14-19(15-13-17)27-22-11-7-10-20(22)21-16-25-24(2,3)26-23(21)18-8-5-4-6-9-18/h4-6,8-9,11-15,20-21,23H,7,10,16H2,1-3H3/t20-,21+,23-/m1/s1
InChIKey VQRQQXGQMAOFAZ-FUPPJEDESA-N
Molecular Weight 380.546 g/mol
SMILES [C@]1([C@](OC(OC1)(C)C)(c1ccccc1)[H])([C@@]1(C(Sc2ccc(cc2)C)=CCC1)[H])[H]
SPLASH splash10-0159-0098000000-6abdc75a5c5a535361a8
Source of Spectrum F-69-6339-9
Synonyms (4S,5R)-2,2-dimethyl-4-phenyl-5-[(1R)-2-(p-tolylthio)cyclopent-2-en-1-yl]-1,3-dioxane (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane (4S,5R)-2,2-dimethyl-5-[(1R)-2-[(4-methylphenyl)thio]-1-cyclopent-2-enyl]-4-phenyl-1,3-dioxane
Wiley ID 1595663