C 15 H 29 Br 1 Cl 1 O 5 1

DOI: 10.14469/hpc/10077 Metadata

Created: 2022-01-19 14:20

Last modified: 2022-01-19 15:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

12...HOMe X-ray conformation methanol TS Def2-TZVPPD + MeOH solvent

Files

FilenameSizeTypeDescription
195033.log 460KB 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/C13H21BrClO3.2CH4O/c1-7-5-13-10(15)6-12(18-13)9(14)3-4-11(16)8(2)17-7;2*1-2/h4,7-13,16H,3,5-6H2,1-2H3;2*2H,1H3/t7-,8+,9+,10-,11-,12+,13-;;/m1../s1
inchikey UEKIBFHVDGSTDL-RSCOYEROSA-N

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