| SpectraBase Spectrum ID |
4pYbzHPrelb |
| Name |
.alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-[p-chlorophenyl]cinnamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.048520088 u |
| Formula |
C22H13ClF3NO4 |
| InChI |
InChI=1S/C22H13ClF3NO4/c23-17-8-5-15(6-9-17)14-3-1-13(2-4-14)11-19(21(28)29)18-10-7-16(22(24,25)26)12-20(18)27(30)31/h1-12H,(H,28,29)/b19-11- |
| InChIKey |
BTXPZMRMLWTWIG-ODLFYWEKSA-N |
| Molecular Weight |
447.797 g/mol |
| SMILES |
C1=C(\C(C(O)=O)=C\C2=CC=C(C=C2)C2=CC=C(C=C2)Cl)C(=CC(=C1)C(F)(F)F)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942936 |
![.alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-[p-chlorophenyl]cinnamic acid](/api/spectrum/4pYbzHPrelb/structure.png?h=300&w=458 ".alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-[p-chlorophenyl]cinnamic acid")
