NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 1H, 13C, HMQC, CDCl3
DOI: 10.14469/hpc/11625 Metadata
Created: 2022-10-27 07:44
Last modified: 2024-04-01 13:40
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR Data for Sample 34.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 34-in CDCl3 hsqc.zip | 3MB | application/zip | Bruker primary data archive |
| 34-in CDCl3 hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 34-in CDCl3 hsqc.zip |
| 34-in CDCl3 hsqc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 34-in CDCl3 hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 34-in CDCl3 hsqc.mnova |
| 34-in CDCl3 hsqc.jdx | 755KB | chemical/x-jcamp-dx | JCAMP-DX Spectrum |
| 34-in CDCl3 hsqc.pdf | 24KB | application/pdf | Spectrum as PDF |
| 34.png | 45KB | image/png | Image structural representation |
| 34.cdxml | 20KB | chemical/x-cdxml | Chemdraw connection table |
| 34.mol | 7KB | chemical/x-mdl-molfile |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11617 | NMR Data for Compound 34. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/4C12H12N2O3.Zr/c4*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;/h4*3-8,15H,2H2,1H3;/q;;;;+4/p-4 |
| inchikey | UANOGLBNQFBPFY-UHFFFAOYSA-J |
| NMR_Expt | HMQC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| NMR_Solvent | CDCl3 |
| SMILES | CCOC(C1=C(O2)N(C3=CC=CC=C3)N=C1)=O[Zr]4256(O=C(OCC)C7=C(O5)N(C8=CC=CC=C8)N=C7)(O=C(OCC)C9=C(O6)N(C%10=CC=CC=C%10)N=C9)OC%11=C(C(OCC)=O4)C=NN%11C%12=CC=CC=C%12 |