| SpectraBase Spectrum ID |
AvvAnYKZshx |
| Name |
.alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-iodocinnamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.952837259 u |
| Formula |
C16H9F3INO4 |
| InChI |
InChI=1S/C16H9F3INO4/c17-16(18,19)10-3-6-12(14(8-10)21(24)25)13(15(22)23)7-9-1-4-11(20)5-2-9/h1-8H,(H,22,23)/b13-7- |
| InChIKey |
QHMOLFCBLVZFLW-QPEQYQDCSA-N |
| Molecular Weight |
463.151 g/mol |
| SMILES |
C1=C(\C(C(O)=O)=C\C2=CC=C(C=C2)I)C(=CC(=C1)C(F)(F)F)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972498 |
![.alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-iodocinnamic acid](/api/spectrum/AvvAnYKZshx/structure.png?h=300&w=458 ".alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-iodocinnamic acid")
