NMR data for (4-(Ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)sodium (11), 1H, 13C, HSQC
DOI: 10.14469/hpc/11567 Metadata
Created: 2022-10-26 13:37
Last modified: 2024-04-02 07:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary data for sample 11
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 11-hsqc.zip | 15MB | application/zip | Bruker primary data archive |
| 11-hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 11-hsqc.zip |
| 11-hsqc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 11-hsqc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 11-hsqc.mnova |
| 11-hsqc.jdx | 761KB | chemical/x-jcamp-dx | JCAMP-DX Spectrum |
| 11-hsqc.pdf | 20KB | application/pdf | Spectrum as PDF |
| 11.png | 16KB | image/png | Image structure representation |
| 11.cdxml | 9KB | chemical/x-cdxml | Chemdraw connection table |
| 11.mol | 3KB | chemical/x-mdl-molfile | MDL Molfile |
| 11.cdxml | 9KB | chemical/x-cdxml | Chemdraw connection table, V2 |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11562 | NMR Data for Compound 11. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C14H16N2O4.Na/c1-3-20-14(18)12-8-15-16(13(12)17)9-10-4-6-11(19-2)7-5-10;/h4-8,17H,3,9H2,1-2H3;/q;+1/p-1 |
| inchikey | SJXKZDLWVHUAHL-UHFFFAOYSA-M |
| NMR_Expt | HSQC |
| NMR_Nucleus1 | 1H |
| NMR_Nucleus2 | 13C |
| SMILES | COC(C=C1)=CC=C1CN2N=CC3=C2O[Na]O=C3OCC |