NMR Data for Bis(aqua) tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)lanthanum (62), 1H, 13C, HMQC
DOI: 10.14469/hpc/11596 Metadata
Created: 2022-10-26 16:21
Last modified: 2024-04-01 16:20
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR Data for Sample 62.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 62-hmqc.zip | 3MB | application/zip | Bruker primary data archive |
| 62-hmqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 62-hmqc.zip |
| 62-hmqc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 62-hmqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 62-hmqc.mnova |
| 62-hmqc.jdx | 747KB | chemical/x-jcamp-dx | JCAMP-DX Spectrum |
| 62-hmqc.pdf | 24KB | application/pdf | Spectrum as PDF |
| 62.png | 40KB | image/png | Image structure representation |
| 62.cdxml | 20KB | chemical/x-cdxml | Chemdraw connection table |
| 62.mol | 6KB | chemical/x-mdl-molfile | MDL Molfile |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11549 | NMR Data for Compound 62. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/3C12H12N2O3.La.2H2O/c3*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;;;/h3*3-8,15H,2H2,1H3;;2*1H2/q;;;+3;;/p-3 |
| inchikey | BUXNFNSTODCTAL-UHFFFAOYSA-K |
| NMR_Expt | HMQC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| SMILES | [OH2][La]123(OC4=C(C(OCC)=O1)C=NN4C5=CC=CC=C5)(OC6=C(C(OCC)=O2)C=NN6C7=CC=CC=C7)([OH2])O=C(OCC)C8=C(O3)N(C9=CC=CC=C9)N=C8 |