C 14 H 25 Br 1 Cl 1 O 4 1

DOI: 10.14469/hpc/10072 Metadata

Created: 2022-01-19 13:58

Last modified: 2022-01-19 14:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

9...HOMe X-ray conformation methanol TS Def2-TZVPPD

Files

FilenameSizeTypeDescription
192024.log 990KB 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.CH4O/c1-7-5-11-10(15)4-3-9(14)6-12(18-11)13(16)8(2)17-7;1-2/h3,7-13,16H,4-6H2,1-2H3;2H,1H3/t7-,8+,9-,10-,11-,12-,13+;/m1./s1
inchikey ZBMKZXHJQGDCOY-BBJWMDFFSA-N

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