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

*Links on SpectraBase are not permalinks.
BENZYL-(2S,4S)-N-TERT.-BUTOXYCARBONYL-4-HYDROXY-4-TRIFLUOROMETHYL-L-PROLINATE
SpectraBase Compound ID HJ3MMJNBxWX
InChI InChI=1S/C18H22F3NO5/c1-16(2,3)27-15(24)22-11-17(25,18(19,20)21)9-13(22)14(23)26-10-12-7-5-4-6-8-12/h4-8,13,25H,9-11H2,1-3H3/t13-,17-/m0/s1
InChIKey KFEJPPKJHFGKEM-GUYCJALGSA-N
Mol Weight 389.37 g/mol
Molecular Formula C18H22F3NO5
Exact Mass 389.145007 g/mol
Enantiomer InChIKey KFEJPPKJHFGKEM-CXAGYDPISA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F-67-7164-5
  • (2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(phenylmethyl) ester
Title Journal or Book Year
Practical Synthesis of Boc-Protected cis-4-Trifluoromethyl and cis-4-Difluoromethyl-l- prolines The Journal of Organic Chemistry 2002

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.

KnowItAll Mass Spectral Library

Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, 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.