(2R,5R)-2-(benzylamino)-2-(2-chlorophenyl)-5-phenyl-1,3,2λ4-dioxaborolan-4-one, chloroform
DOI: 10.14469/hpc/3908 Metadata
Created: 2018-03-14 16:04
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 3KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 1MB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 42MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 5KB | application/xml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/3900 | The use of 11B NMR for identifying reaction intermediates. |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C21H19BClNO3/c23-19-14-8-7-13-18(19)22(24-15-16-9-3-1-4-10-16)26-20(21(25)27-22)17-11-5-2-6-12-17/h1-14,20H,15,24H2/t20-/m1/s1 |
inchikey | JZJVETXAAAAZFF-HXUWFJFHSA-N |