NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18), 1H
DOI: 10.14469/hpc/11517 Metadata
Created: 2022-10-25 07:50
Last modified: 2024-06-24 12:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR data for Sample 18
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 18.cdxml | 14KB | chemical/x-cdxml | Chemdraw connection table |
| 18-1H.zip | 345KB | application/zip | Bruker primary data archive |
| 18-1H.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 18-1H.zip |
| 18-1H.mnova | 235KB | chemical/x-mnova | Mnova data archive |
| 18-1H.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 18-1H.mnova |
| 18-1H.jdx | 171KB | chemical/x-jcamp-dx | JCAMP-DX spectrum |
| 18-1H.pdf | 21KB | application/pdf | Spectrum as PDF |
| 18.png | 32KB | image/png | Image representation |
| 18.cdxml | 14KB | chemical/x-cdxml | Chemdraw connection table v2 |
| 18.mol | 2KB | chemical/x-mdl-molfile | MDL Molfile connection table |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11515 | NMR Data for Compound 18. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/2C6H8N2O3.2C2H6O.Mg/c2*1-2-11-6(10)4-3-7-8-5(4)9;2*1-2-3;/h2*3H,2H2,1H3,(H2,7,8,9);2*3H,2H2,1H3;/q;;;;+2/p-2 |
| inchikey | VHSWAKOPFLHREY-UHFFFAOYSA-L |
| NMR_Expt | 1D |
| NMR_Nucleus | 1H |
| SMILES | [H]O(CC)[Mg]12(OC3=C(C(OCC)=O1)C=NN3)(OC4=C(C(OCC)=O2)C=NN4)O([H])CC |