C 14 H 24 Br 1 Cl 1 O 4

DOI: 10.14469/hpc/10083 Metadata

Created: 2022-01-19 16:06

Last modified: 2022-01-19 17:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

oxonium cation 12...OMe x-ray conformation methanol TS Def2-TZVPPD freq

Files

FilenameSizeTypeDescription
191986.log 402KB chemical/x-gaussian-log Gaussian log file

Member of collection / collaboration

DOIDescription
10.14469/hpc/10062 Relocation of Computational data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

Subject Keywords

KeywordValue
inchi InChI=1S/C13H21BrClO3.CH3O/c1-7-5-13-10(15)6-12(18-13)9(14)3-4-11(16)8(2)17-7;1-2/h4,7-13,16H,3,5-6H2,1-2H3;1H3/t7-,8+,9+,10-,11-,12+,13-;/m1./s1
inchikey DUFGJPLJYMHPHW-YUTAABOWSA-N

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