| SpectraBase Spectrum ID |
4W6h9roc877 |
| Name |
Coumarin, 3-[4-(2,4-dichlorobenzoylamino)phenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.027248680 u |
| Formula |
C22H13Cl2NO3 |
| InChI |
InChI=1S/C22H13Cl2NO3/c23-15-7-10-17(19(24)12-15)21(26)25-16-8-5-13(6-9-16)18-11-14-3-1-2-4-20(14)28-22(18)27/h1-12H,(H,25,26) |
| InChIKey |
BTUDHLHKTRDPBN-UHFFFAOYSA-N |
| Molecular Weight |
410.256 g/mol |
| SMILES |
C12=CC=CC=C2OC(C(=C1)C1=CC=C(C=C1)NC(=O)C1=C(C=C(C=C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868409 |
![Coumarin, 3-[4-(2,4-dichlorobenzoylamino)phenyl]-](/api/spectrum/4W6h9roc877/structure.png?h=300&w=458 "Coumarin, 3-[4-(2,4-dichlorobenzoylamino)phenyl]-")
