IR Data for Compound 21
DOI: 10.14469/hpc/11448 Metadata
Created: 2022-10-14 11:22
Last modified: 2024-05-28 15:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
IR spectrum for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21)
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| IR.pdf | 62KB | application/pdf | IR Spectrum |
| Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21).cdxml | 19KB | chemical/x-cdxml | Chemdraw connection table |
| 21.png | 31KB | image/png | Image structure representation |
| 21.mol | 7KB | chemical/x-mdl-molfile | MDL Molfile |
| 21.cdxml | 19KB | chemical/x-cdxml | Chemdraw connection table v2 |
| 21.png | 78KB | image/png | Image structure representation v2 |
| 21.mol | 3KB | chemical/x-mdl-molfile | MDL Molfile v2 |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11349 | Compound 21: Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium |
Subject Keywords
| Keyword | Value |
|---|---|
| IFD.IR | IR Spectrum |
| inchi | InChI=1S/2C18H16N2O3.2C2H6O.Ca/c2*1-23-15-9-7-13(8-10-15)12-20-18(22)16(11-19-20)17(21)14-5-3-2-4-6-14;2*1-2-3;/h2*2-11,22H,12H2,1H3;2*3H,2H2,1H3;/q;;;;+2/p-2 |
| inchikey | OZEYXLXJQKVGCZ-UHFFFAOYSA-L |
| SMILES | [H]O(CC)[Ca]12(OC3=C(C(C4=CC=CC=C4)=O1)C=NN3CC5=CC=C(OC)C=C5)(OC6=C(C(C7=CC=CC=C7)=O2)C=NN6CC8=CC=C(OC)C=C8)O([H])CC |