| SpectraBase Spectrum ID |
L5yYPEG72b4 |
| Name |
.alpha.-[o-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.017219959 u |
| Formula |
C16H9ClF3NO4 |
| InChI |
InChI=1S/C16H9ClF3NO4/c17-11-4-1-9(2-5-11)7-13(15(22)23)12-6-3-10(16(18,19)20)8-14(12)21(24)25/h1-8H,(H,22,23)/b13-7- |
| InChIKey |
KIBRLGQDGADSDK-QPEQYQDCSA-N |
| Molecular Weight |
371.699 g/mol |
| SMILES |
C(F)(F)(F)C1=CC=C(C(N(=O)=O)=C1)\C(C(=O)O)=C\C1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961761 |
![.alpha.-[o-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid](/api/spectrum/L5yYPEG72b4/structure.png?h=300&w=458 ".alpha.-[o-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid")
