| SpectraBase Spectrum ID |
9eO9rbainEI |
| Name |
.alpha.-[4-Trifluoromethylphenyl]-2-nitrocinnamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.056192291 u |
| Formula |
C16H10F3NO4 |
| InChI |
InChI=1S/C16H10F3NO4/c17-16(18,19)12-7-5-10(6-8-12)13(15(21)22)9-11-3-1-2-4-14(11)20(23)24/h1-9H,(H,21,22)/b13-9- |
| InChIKey |
AGVDOKLGWOBWGX-LCYFTJDESA-N |
| Molecular Weight |
337.254 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC=CC1\C=C/(C(=O)O)C1=CC=C(C(F)(F)F)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939557 |
![.alpha.-[4-Trifluoromethylphenyl]-2-nitrocinnamic acid](/api/spectrum/9eO9rbainEI/structure.png?h=300&w=458 ".alpha.-[4-Trifluoromethylphenyl]-2-nitrocinnamic acid")
