| SpectraBase Spectrum ID |
5wqM2nP2jdl |
| Name |
.alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-methylcinnamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.071842355 u |
| Formula |
C17H12F3NO4 |
| InChI |
InChI=1S/C17H12F3NO4/c1-10-2-4-11(5-3-10)8-14(16(22)23)13-7-6-12(17(18,19)20)9-15(13)21(24)25/h2-9H,1H3,(H,22,23)/b14-8- |
| InChIKey |
MTDLXONQMQLRIE-ZSOIEALJSA-N |
| Molecular Weight |
351.281 g/mol |
| SMILES |
C1=C(\C=C/(C(=O)O)C2=CC=C(C=C2N(=O)=O)C(F)(F)F)C=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972534 |
![.alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-methylcinnamic acid](/api/spectrum/5wqM2nP2jdl/structure.png?h=300&w=458 ".alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-methylcinnamic acid")
