For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S,2S,2''R,3S,5S)/(1S,2S,2''S,3S,5S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3-PHENYLSULFINYL-CYCLOHEXYLESTER
SpectraBase Compound ID 8RPB30zY5Hu
InChI InChI=1S/2C29H38O3S/c2*1-19(2)16-23-12-14-24(15-13-23)21(5)29(30)32-27-17-25(20(3)4)18-28(22(27)6)33(31)26-10-8-7-9-11-26/h2*7-15,19,21-22,25,27-28H,3,16-18H2,1-2,4-6H3/t21-,22+,25+,27-,28+,33?;21-,22-,25-,27+,28-,33?/m01/s1
InChIKey PWDOGRHTMIGVRY-BAXPOCQSSA-N
Mol Weight 933.4 g/mol
Molecular Formula C58H76O6S2
Exact Mass 932.508333 g/mol
Enantiomer InChIKey PWDOGRHTMIGVRY-GOWPURAYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Title Journal or Book Year
Chiral auxiliary-mediated enantioenrichment of (±)-ibuprofen, under steglich conditions, with secondary alcohols derived from (R)-carvone Journal of the Brazilian Chemical Society 2010

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.