NMR Data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17). 1H, 13C, HSQC
DOI: 10.14469/hpc/11533 Metadata
Created: 2022-10-25 11:33
Last modified: 2024-06-25 17:22
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR data for Compound 17.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 17-hsqc.zip | 15MB | application/zip | Bruker primary data archive |
| 17-hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 17-hsqc.zip |
| 17-hsqc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 17-hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 17-hsqc.mnova |
| 17-hsqc.jdx | 760KB | chemical/x-jcamp-dx | JCAMP-DX Spectrum |
| 17-hsqc.pdf | 20KB | application/pdf | Spectrum as PDF |
| 17.png | 30KB | image/png | Image structure representation |
| 17.cdxml | 20KB | chemical/x-cdxml | Chemdraw connection table |
| 17.mol | 5KB | chemical/x-mdl-molfile | MDL Molfile |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11528 | NMR Data for Compound 17. |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.5281/zenodo.10800685 | Zenodo version |
| References | 10.6084/m9.figshare.25418224 | Figshare version |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/2C18H16N2O3.2C2H6O.Mg/c2*1-23-15-9-7-13(8-10-15)12-20-18(22)16(11-19-20)17(21)14-5-3-2-4-6-14;2*1-2-3;/h2*2-11,22H,12H2,1H3;2*3H,2H2,1H3;/q;;;;+2/p-2 |
| inchikey | RZJUIECYXQVFPY-UHFFFAOYSA-L |
| NMR_Expt | HSQC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| NMR_Solvent | CD3OD |
| SMILES | [H]O(CC)[Mg]12(OC3=C(C(C4=CC=CC=C4)=O1)C=NN3CC5=CC=C(OC)C=C5)(OC6=C(C(C7=CC=CC=C7)=O2)C=NN6CC8=CC=C(OC)C=C8)O([H])CC |