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

*Links on SpectraBase are not permalinks.
(3AS,4R,7S,7AR)-2-(4-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
SpectraBase Compound ID InYJa470ohX
InChI InChI=1S/C18H17F3O2/c1-23-12-6-4-9(5-7-12)15-16(18(19,20)21)13-10-2-3-11(8-10)14(13)17(15)22/h4-7,10-11,13-14H,2-3,8H2,1H3/t10-,11+,13+,14-/m0/s1
InChIKey BWPHHAJMDGBIEL-UNJBNNCHSA-N
Mol Weight 322.33 g/mol
Molecular Formula C18H17F3O2
Exact Mass 322.118064 g/mol
Enantiomer InChIKey BWPHHAJMDGBIEL-UVLXDEKHSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Pauson-Khand Reaction of Internal Dissymmetric Trifluoromethyl Alkynes. Influence of the Alkene on the Regioselectivity Molecules 2014

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.