C 13 H 21 Br 2 Cl 1 O 3

DOI: 10.14469/hpc/10079 Metadata

Created: 2022-01-19 15:57

Last modified: 2022-01-19 16:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

oxonium cation 9...Br x-ray conformation methanol TS Def2-TZVPPD

Files

FilenameSizeTypeDescription
191976.log 622KB 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.Br/c1-7-5-11-10(15)4-3-9(14)6-12(18-11)13(16)8(2)17-7;/h3,7-13,16H,4-6H2,1-2H3;/t7-,8+,9-,10-,11-,12-,13+;/m1./s1
inchikey AFSVXEOZGVNYLY-BBJWMDFFSA-N

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