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

*Links on SpectraBase are not permalinks.
(1S,2S,2''R,3R,5S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3(NAPHTHALEN-2-YL-SULFANYL)-CYCLOHEX-1-YLESTER;MAJOR-DIASTEREOMER
SpectraBase Compound ID JDUnrWhtNx1
InChI InChI=1S/C33H40O2S/c1-21(2)17-25-11-13-26(14-12-25)23(5)33(34)35-31-19-29(22(3)4)20-32(24(31)6)36-30-16-15-27-9-7-8-10-28(27)18-30/h7-16,18,21,23-24,29,31-32H,3,17,19-20H2,1-2,4-6H3/t23-,24-,29-,31+,32-/m1/s1
InChIKey NQDKHAXFNRIHNP-OEAJFJRISA-N
Mol Weight 500.7 g/mol
Molecular Formula C33H40O2S
Exact Mass 500.274902 g/mol
Enantiomer InChIKey NQDKHAXFNRIHNP-IGCXALDUSA-N
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

This compound is available in the following databases:

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.