| SpectraBase Spectrum ID |
Cs0bd8N06bH |
| Name |
5-Cinnamyllidinamino-2,4-dichlorobenzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.016683996 u |
| Formula |
C16H11Cl2NO2 |
| InChI |
InChI=1S/C16H11Cl2NO2/c17-13-10-14(18)15(9-12(13)16(20)21)19-8-4-7-11-5-2-1-3-6-11/h1-10H,(H,20,21)/b7-4+,19-8+ |
| InChIKey |
VSUPALIQLZOEMC-SIARZVSRSA-N |
| Molecular Weight |
320.175 g/mol |
| SMILES |
C1(=CC(Cl)=C(C=C1C(O)=O)\N=C\C=C\C1=CC=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951487 |
