C 14 H 25 Br 1 Cl 1 O 4 1

DOI: 10.14469/hpc/10064 Metadata

Created: 2022-01-19 12:55

Last modified: 2022-01-19 13:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

6...HOMe x-ray conformation methanol TS Def2-TZVPPD

Files

FilenameSizeTypeDescription
192018.log 3MB 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/c1-7-3-4-9(15)5-11-10(14)6-12(18-11)13(16)8(2)17-7;1-2/h4,7-13,16H,3,5-6H2,1-2H3;2H,1H3/t7-,8+,9+,10+,11+,12-,13+;/m1./s1
inchikey CUGREHMXBPNOIU-SWPWWRRFSA-N

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