NMR Data for Sodium(I) tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)lanthanum (61), 1H, 13C, HMQC
DOI: 10.14469/hpc/11540 Metadata
Created: 2022-10-25 14:12
Last modified: 2024-03-27 09:50
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR data for Sample 61
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 61-hmqc.zip | 3MB | application/zip | Bruker primary data archive |
| 61-hmqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 61-hmqc.zip |
| 61-hmqc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 61-hmqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 61-hmqc.mnova |
| 61-hmqc.jdx | 757KB | chemical/x-jcamp-dx | JCAMP-DX spectrum |
| 61-hmqc.pdf | 19KB | application/pdf | Spectrum as PDF |
| 61.png | 60KB | image/png | Image structure representation |
| 61.cdxml | 28KB | chemical/x-cdxml | Chemdraw connection table |
| 61.mol | 9KB | chemical/x-mdl-molfile | MDL Molfile |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11535 | NMR Data for Compound 61. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/4C14H16N2O4.La.Na/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;;;;+3;+1/p-4 |
| inchikey | XMEKWVGUUCWZMN-UHFFFAOYSA-J |
| NMR_Expt | HMQC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| NMR_Solvent | CD3OD |
| SMILES | CCOC(C(C=N1)=C(O2)N1CC3=CC=C(OC)C=C3)=O[La-]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.[Na+] |