NMR Data for 4-benzoyl-2-(4-methoxybenzyl)-1,2-dihydro-3H-pyrazol-3-one (10), 1H, 13C, HMQC
DOI: 10.14469/hpc/11858 Metadata
Created: 2022-11-13 20:28
Last modified: 2024-05-28 10:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR Data for Compound 10.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 10-hsqc in CDCl3.zip | 3MB | application/zip | Bruker primary data archive |
| 10-hsqc in CDCl3.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 10-hsqc in CDCl3.zip |
| 10-hsqc in CDCl3.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 10-hsqc in CDCl3.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 10-hsqc in CDCl3.mnova |
| 10-hsqc in CDCl3.jdx | 747KB | chemical/x-jcamp-dx | JCAMP-DX spectrum |
| 10-hsqc in CDCl3.pdf | 26KB | application/pdf | Spectrum as PDF |
| 10.png | 405KB | image/png | Image structural representation |
| 10.mol | 3KB | chemical/x-mdl-molfile | MDL Molfile |
| 10.cdxml | 9KB | chemical/x-cdxml | Chemdraw Connection table |
| 10.cdxml | 7KB | chemical/x-cdxml | Chemdraw Connection table v2 |
| 10.mol | 1KB | chemical/x-mdl-molfile | MDL Molfile v2 |
| 10.png | 35KB | image/png | Image structural representation v2 |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11830 | NMR Data for Compound 10. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C18H16N2O3/c1-23-15-9-7-13(8-10-15)12-20-18(22)16(11-19-20)17(21)14-5-3-2-4-6-14/h2-11,19H,12H2,1H3 |
| inchikey | TWEWOISBMXNRJZ-UHFFFAOYSA-N |
| NMR_Expt | HMQC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| NMR_Solvent | CDCl3 |
| SMILES | O=C1N(CC2=CC=C(OC)C=C2)NC=C1C(C3=CC=CC=C3)=O |