| SpectraBase Spectrum ID |
2873f2Eo1Pf |
| Name |
4,5-Dibromo-2-nitro-.alpha.-[4-trifluoromethylphenyl]cinnamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.877218227 u |
| Formula |
C16H8Br2F3NO4 |
| InChI |
InChI=1S/C16H8Br2F3NO4/c17-12-6-9(14(22(25)26)7-13(12)18)5-11(15(23)24)8-1-3-10(4-2-8)16(19,20)21/h1-7H,(H,23,24)/b11-5+ |
| InChIKey |
YKHKAXKUZWWMRA-VZUCSPMQSA-N |
| Molecular Weight |
495.046 g/mol |
| SMILES |
C1=C(\C=C/(C2=CC=C(C=C2)C(F)(F)F)C(=O)O)C(=CC(=C1Br)Br)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809007 |
![4,5-Dibromo-2-nitro-.alpha.-[4-trifluoromethylphenyl]cinnamic acid](/api/spectrum/2873f2Eo1Pf/structure.png?h=300&w=458 "4,5-Dibromo-2-nitro-.alpha.-[4-trifluoromethylphenyl]cinnamic acid")
