| SpectraBase Spectrum ID |
4GgsRlhq8RO |
| Name |
.alpha.-[4-Chloro-2-nitrophenyl]-4-trifluoromethylcinnamic 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/c17-11-5-6-12(14(8-11)21(24)25)13(15(22)23)7-9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H,22,23)/b13-7- |
| InChIKey |
UZFLHQABLYVWQB-QPEQYQDCSA-N |
| Molecular Weight |
371.699 g/mol |
| SMILES |
C(O)(\C(C1=C(N(=O)=O)C=C(Cl)C=C1)=C/C1=CC=C(C(F)(F)F)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944052 |
![.alpha.-[4-Chloro-2-nitrophenyl]-4-trifluoromethylcinnamic acid](/api/spectrum/4GgsRlhq8RO/structure.png?h=300&w=458 ".alpha.-[4-Chloro-2-nitrophenyl]-4-trifluoromethylcinnamic acid")
