NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16), HSQC
DOI: 10.14469/hpc/11547 Metadata
Created: 2022-10-25 16:48
Last modified: 2024-11-22 08:29
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR Data for Sample 16.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 16-hsqc.zip | 7MB | application/zip | Bruker primary data archive |
| 16-hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 16-hsqc.zip |
| 16-hsqc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 16-hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 16-hsqc.mnova |
| 16-hsqc.jdx | 766KB | chemical/x-jcamp-dx | JCAMP-DX spectrum |
| 16-hsqc.pdf | 21KB | application/pdf | Spectrum as PDF |
| 16.png | 30KB | image/png | Image structure representation |
| 16.cdxml | 16KB | chemical/x-cdxml | Chemdraw connection table |
| 16.mol | 3KB | chemical/x-mdl-molfile | MDL Molfile |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11542 | NMR Data for Compound 16. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/2C12H12N2O3.2C2H6O.Mg/c2*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;2*1-2-3;/h2*3-8,15H,2H2,1H3;2*3H,2H2,1H3;/q;;;;+2/p-2 |
| inchikey | FCXMPNFUGCYHCR-UHFFFAOYSA-L |
| NMR_Expt | HSQC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| NMR_Solvent | acetone-d6 |
| SMILES | [H]O(CC)[Mg]12(OC3=C(C(OCC)=O1)C=NN3C4=CC=CC=C4)(OC5=C(C(OCC)=O2)C=NN5C6=CC=CC=C6)O([H])CC |