C 14 H 24 Br 1 Cl 1 O 4
DOI: 10.14469/hpc/10082 Metadata
Created: 2022-01-19 16:04
Last modified: 2022-01-19 17:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
oxonium cation 9...OMe x-ray conformation methanol TS Def2-TZVPPD
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 191985.log | 531KB | 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.CH3O/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;1H3/t7-,8+,9-,10-,11-,12-,13+;/m1./s1 |
| inchikey | FIRZCWDXEROCIG-BBJWMDFFSA-N |