NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 1H, 13C, HMBC, CDCl3
DOI: 10.14469/hpc/11635 Metadata
Created: 2022-10-27 08:45
Last modified: 2024-04-01 15:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR Data archive for sample 33.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 33-in CDCl3 hmbc.zip | 2MB | application/zip | Bruker primary data archive |
| 33-in CDCl3 hmbc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 33-in CDCl3 hmbc.zip |
| 33-in CDCl3 hmbc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 33-in CDCl3 hmbc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 33-in CDCl3 hmbc.mnova |
| 33-in CDCl3 hmbc.jdx | 754KB | chemical/x-jcamp-dx | JCAMP-DX spectrum |
| 33-in CDCl3 hmbc.pdf | 23KB | application/pdf | Spectrum as PDF |
| 33.png | 49KB | image/png | Image structural representation |
| 33.cdxml | 26KB | chemical/x-cdxml | Chemdraw connection table |
| 33.mol | 9KB | chemical/x-mdl-molfile | MDL Molfile |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11615 | NMR Data for Compound 33. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/4C14H16N2O4.Zr/c4*1-3-20-14(18)12-8-15-16(13(12)17)9-10-4-6-11(19-2)7-5-10;/h4*4-8,17H,3,9H2,1-2H3;/q;;;;+4/p-4 |
| inchikey | NBCBVPABRHVLHH-UHFFFAOYSA-J |
| NMR_Expt | HMBC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| NMR_Solvent | CDCl3 |
| SMILES | CCOC(C(C=N1)=C(O2)N1CC3=CC=C(OC)C=C3)=O[Zr]4256(O=C(OCC)C(C=N7)=C(O5)N7CC8=CC=C(OC)C=C8)(O=C(OCC)C(C=N9)=C(O6)N9CC%10=CC=C(OC)C=C%10)OC%11=C(C(OCC)=O4)C=NN%11CC%12=CC=C(OC)C=C%12 |