DOI: 10.14469/hpc/10060 Metadata

Created: 2022-01-19 12:34

Last modified: 2022-01-19 13:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

12 reactant ...HOMe x-ray conformation methanol Def2-TZVPPD freq

Files

Filename	Size	Type	Description
195088.log	417KB	chemical/x-gaussian-log	Gaussian log file

Member of collection / collaboration

DOI	Description
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

Keyword	Value
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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