NMR Data for Bis(ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (39), 1H, 13C, HMQC
DOI: 10.14469/hpc/11591 Metadata
Created: 2022-10-26 15:46
Last modified: 2024-04-01 08:50
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR Data for Sample 39.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 39-hsqc.zip | 3MB | application/zip | Bruker primary data archive |
| 39-hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 39-hsqc.zip |
| 39-hsqc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 39-hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 39-hsqc.mnova |
| 39-hsqc.jdx | 747KB | chemical/x-jcamp-dx | JCAMP-DX Spectrum |
| 39-hsqc.pdf | 22KB | application/pdf | Spectrum as PDF |
| 39.png | 49KB | image/png | Image structure representation |
| 39.cdxml | 19KB | chemical/x-cdxml | Chemdraw connection table |
| 39.mol | 7KB | chemical/x-mdl-molfile | MDL Molfile |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11587 | NMR Data for Compound 39. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/2C14H16N2O4.2C3H6O2.2C2H4O2.2Rh/c2*1-3-20-14(18)12-8-15-16(13(12)17)9-10-4-6-11(19-2)7-5-10;2*1-3(4)5-2;2*1-2(3)4;;/h2*4-8,17H,3,9H2,1-2H3;2*1-2H3;2*1H3,(H,3,4);;/q;;;;;;2*+1/p-2 |
| inchikey | ZCOFHPJIQNSTLR-UHFFFAOYSA-L |
| NMR_Expt | HMQC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| SMILES | CC1=O(C)[Rh]2(OC(C)=O3C)(O=CO4)([N]5=CC(C(OCC)=O)=C(O)N5CC6=CC=C(OC)C=C6)[Rh]34(O=C(O2)C)([N]7=CC(C(OCC)=O)=C(O)N7CC8=CC=C(OC)C=C8)O1 |