C 13 H 21 Br 2 Cl 1 O 3
DOI: 10.14469/hpc/10080 Metadata
Created: 2022-01-19 15:59
Last modified: 2022-01-19 16:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
oxonium cation 12...Br x-ray conformation methanol TS Def2-TZVPPD
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 191979.log | 1MB | 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.Br/c1-7-5-13-10(15)6-12(18-13)9(14)3-4-11(16)8(2)17-7;/h4,7-13,16H,3,5-6H2,1-2H3;/t7-,8+,9+,10-,11-,12+,13-;/m1./s1 |
| inchikey | CHPXGMWQXONRPZ-YUTAABOWSA-N |