NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33), 13C, acetone-d6
DOI: 10.14469/hpc/11628 Metadata
Created: 2022-10-27 08:15
Last modified: 2024-04-01 14:59
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR Data for Sample 33.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 33-in acetone-d6 13C.zip | 376KB | application/zip | Bruker primary data archive |
| 33-in acetone-d6 13C.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 33-in acetone-d6 13C.zip |
| 33-in acetone-d6 13C.mnova | 256KB | chemical/x-mnova | Mnova data archive |
| 33-in acetone-d6 13C.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 33-in acetone-d6 13C.mnova |
| 33-in acetone-d6 13C.jdx | 167KB | chemical/x-jcamp-dx | JCAMP-DX spectrum |
| 33-in acetone-d6 13C.pdf | 73KB | 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 | 1D |
| NMR_Nucleus | 13C |
| NMR_Solvent | acetone-d6 |
| 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 |