SpectraBase Spectrum ID |
FVSiMrIyw0y |
Name |
Ethyl 4-{[(2,4-dichloroanilino)carbonyl]amino}benzoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
352.038147716 u |
Formula |
C16H14Cl2N2O3 |
InChI |
InChI=1S/C16H14Cl2N2O3/c1-2-23-15(21)10-3-6-12(7-4-10)19-16(22)20-14-8-5-11(17)9-13(14)18/h3-9H,2H2,1H3,(H2,19,20,22) |
InChIKey |
FILWLKBAVJRJLG-UHFFFAOYSA-N |
Molecular Weight |
353.205 g/mol |
SMILES |
C1(Cl)=C(C=CC(=C1)Cl)NC(=O)NC1=CC=C(C=C1)C(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948677 |