IR data for Compound 46
DOI: 10.14469/hpc/11494 Metadata
Created: 2022-10-24 15:03
Last modified: 2024-05-28 17:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
IR Spectrum for Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)iron (46)
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| TM-VI-232_2022-01-21T17-56-19.pdf | 61KB | application/pdf | IR Spectrum as PDF |
| 46.cdxml | 21KB | chemical/x-cdxml | Chemdraw connection table |
| 46.png | 77KB | image/png | Image representation |
| 46.mol | 8KB | chemical/x-mdl-molfile | MDL Molfile |
| 46.cdxml | 24KB | chemical/x-cdxml | Chemdraw connection table, V2 (corrected stereochemistry) |
| 46.mol | 6KB | chemical/x-mdl-molfile | MDL Molfile, V2 (corrected stereochemistry) |
| 46.cdxml | 22KB | chemical/x-cdxml | Chemdraw connection table, V3 |
| 46.png | 34KB | image/png | Image representation v2 |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11397 | Compound 46: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)iron |
Subject Keywords
| Keyword | Value |
|---|---|
| IFD.IR | IR Spectrum |
| inchi | InChI=1S/3C12H12N2O3.Fe/c3*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;/h3*3-8,15H,2H2,1H3;/q;;;+3/p-3 |
| inchikey | UQNXTYSOTKBKBU-UHFFFAOYSA-K |
| SMILES | CCOC(C(C=N1)=C(O2)N1C3=CC=CC=C3)=O[Fe]245(OC6=C(C(OCC)=O5)C=NN6C7=CC=CC=C7)O=C(OCC)C(C=N8)=C(O4)N8C9=CC=CC=C9 |