| SpectraBase Compound ID | CMFnsIokOx8 |
|---|---|
| InChI | InChI=1S/C33H29N5O3/c39-32(23-41-28-14-12-25(13-15-28)11-10-24-6-2-1-3-7-24)37-31(20-27-22-35-30-9-5-4-8-29(27)30)33(40)38-36-21-26-16-18-34-19-17-26/h1-19,21-22,31,35H,20,23H2,(H,37,39)(H,38,40)/b11-10+,36-21+ |
| InChIKey | OXVCSHJAFVEBBH-RRKWSYTESA-N |
| Mol Weight | 543.6 g/mol |
| Molecular Formula | C33H29N5O3 |
| Exact Mass | 543.22704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4t4bGfwpVP0 |
|---|---|
| Name | N-(3-(1H-Indol-3-yl)-1-oxo-1-((E)-2-(pyridin-4-ylmethylene)hydrazinyl)propan-2-yl)-2-(4-styrylphenoxy)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 543.227039811 u |
| Formula | C33H29N5O3 |
| InChI | InChI=1S/C33H29N5O3/c39-32(23-41-28-14-12-25(13-15-28)11-10-24-6-2-1-3-7-24)37-31(20-27-22-35-30-9-5-4-8-29(27)30)33(40)38-36-21-26-16-18-34-19-17-26/h1-19,21-22,31,35H,20,23H2,(H,37,39)(H,38,40)/b11-10+,36-21+ |
| InChIKey | OXVCSHJAFVEBBH-RRKWSYTESA-N |
| Molecular Weight | 543.627 g/mol |
| SMILES | C1=CC(=CC=C1\C=C\C1=CC=CC=C1)OCC(=O)NC(C(N\N=C\C1=CC=NC=C1)=O)CC=1C2=C(NC1)C=CC=C2 |