(4-hydroxy-3,5-diisopropylphenyl)mercury(II) chloride (propofol p-chloromercurate). 199Hg NMR
DOI: 10.14469/hpc/2635 Metadata
Created: 2017-06-03 07:01
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: PX0273_CHCS: "SPECTROSCOPIC STUDIES ON NATUR".
Description
Computed and measured NMR data for propofol p-chloromercurate
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| cml.cml | 2KB | chemical/x-cml | Molecular information in XML format. |
| gaussian.log | 1MB | chemical/x-gaussian-log | Output from a Gaussian calculation |
| input.gjf | 9KB | chemical/x-gaussian-input | Input for a Gaussian calculation |
| checkpoint.fchk | 17MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file from a Gaussian calculation |
| Hg.cdxml | 5KB | chemical/x-cdxml | Chemdraw connection table |
| Hg.mnova | 333KB | chemical/x-mnova | NMR data in MestreNova format |
| Hg.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for Hg.mnova |
| Hg.zip | 147KB | application/zip | NMR data in Bruker instrumental format |
| Hg.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for Hg.zip |
| Hg.dx | 706KB | chemical/x-jcamp-dx | NMR Data in JCAMP-DX format |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/1975 | 199Hg NMR chemical shifts: a comparison between calculated and measured values |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C8H9O.ClH.Hg/c1-6-4-3-5-7(2)8(6)9;;/h4-5,9H,1-2H3;1H;/q;;+1/p-1 |
| inchi | InChI=1S/C12H17O.ClH.Hg/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;;/h6-9,13H,1-4H3;1H;/q;;+1/p-1 |
| inchikey | XZYDALXOGPZGNV-UHFFFAOYSA-M |
| inchikey | FQUDEUMEGGIBAC-UHFFFAOYSA-M |