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

*Links on SpectraBase are not permalinks.
3,14-(R)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETIC_ACID_DIESTER_OF_PETROCORTYNE_H
SpectraBase Compound ID 6cONf8w0Rgb
InChI InChI=1S/C66H82F6O7/c1-5-7-8-9-10-11-12-13-14-15-16-18-21-26-31-42-51-58(73)52-43-32-27-22-19-17-20-23-29-34-45-54-60(79-62(75)64(77-4,66(70,71)72)57-49-40-37-41-50-57)55-46-35-30-25-24-28-33-44-53-59(6-2)78-61(74)63(76-3,65(67,68)69)56-47-38-36-39-48-56/h1-2,7-8,17,19,36-41,43-44,47-50,52-53,59-60H,9-16,18,20-35,42,51H2,3-4H3/b8-7-,19-17-,52-43+,53-44+/t59-,60-,63?,64?/m0/s1
InChIKey JLSGBOUDOOIRIZ-GSBZKRLRSA-N
Mol Weight 1101.4 g/mol
Molecular Formula C66H82F6O7
Exact Mass 1100.596474 g/mol
Enantiomer InChIKey JLSGBOUDOOIRIZ-BQQZLTAJSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 3,14-(S)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETIC_ACID_DIESTER_OF_PETROCORTYNE_H
Title Journal or Book Year
Five New Polyacetylenes from a Sponge of the Genus Petrosia Journal of Natural Products 1998

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.