| SpectraBase Spectrum ID |
GvsGxFTOyEp |
| Name |
N-(4-Bromobenzyl)-N-(2-pyridyl)-3-coumarincarboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.026605348 u |
| Formula |
C22H15BrN2O3 |
| InChI |
InChI=1S/C22H15BrN2O3/c23-17-10-8-15(9-11-17)14-25(20-7-3-4-12-24-20)21(26)18-13-16-5-1-2-6-19(16)28-22(18)27/h1-13H,14H2 |
| InChIKey |
GJIDDEWASYSWBV-UHFFFAOYSA-N |
| Molecular Weight |
435.277 g/mol |
| SMILES |
C=1(C(N(C2=NC=CC=C2)CC2=CC=C(C=C2)Br)=O)C(OC=2C=CC=CC2C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912016 |
