NMR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (19), 1H, 13C, HMBC
DOI: 10.14469/hpc/11501 Metadata
Created: 2022-10-24 15:49
Last modified: 2024-05-28 10:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR data for sample 19, HMBC Experiment
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 19-hmbc.zip | 2MB | application/zip | Bruker primary data archive |
| 19-hmbc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 19-hmbc.zip |
| 19-hmbc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 19-hmbc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 19-hmbc.mnova |
| 19.jdx | 754KB | chemical/x-jcamp-dx | JCAMP-DX spectrum |
| 19.pdf | 21KB | application/pdf | Spectrum as PDF |
| 19.cdxml | 20KB | chemical/x-cdxml | Chemdraw connection table |
| 19.mol | 6KB | chemical/x-mdl-molfile | MDL Molfile |
| 19.cdxml | 19KB | chemical/x-cdxml | Chemdraw connection table v2 |
| 19.png | 43KB | image/png | Image representation |
| 19.mol | 3KB | chemical/x-mdl-molfile | MDL Molfile v2 |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11499 | NMR Data for Compound 19. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/2C14H16N2O4.2C2H6O.Ca/c2*1-3-20-14(18)12-8-15-16(13(12)17)9-10-4-6-11(19-2)7-5-10;2*1-2-3;/h2*4-8,17H,3,9H2,1-2H3;2*3H,2H2,1H3;/q;;;;+2/p-2 |
| inchikey | COXUFEKBFOSEFD-UHFFFAOYSA-L |
| NMR_Expt | HMBC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| SMILES | [H]O(CC)[Ca]12(OC3=C(C(OCC)=O1)C=NN3CC4=CC=C(OC)C=C4)(OC5=C(C(OCC)=O2)C=NN5CC6=CC=C(OC)C=C6)O([H])CC |