| SpectraBase Spectrum ID |
q55LBwnqOg |
| Name |
2-Cyano-3-ethoxy-N-(3-trifluoromethyl-phenyl)-acrylamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.077262089 u |
| Formula |
C13H11F3N2O2 |
| InChI |
InChI=1S/C13H11F3N2O2/c1-2-20-8-9(7-17)12(19)18-11-5-3-4-10(6-11)13(14,15)16/h3-6,8H,2H2,1H3,(H,18,19)/b9-8+ |
| InChIKey |
YVLHUYWPRZOJMP-CMDGGOBGSA-N |
| Molecular Weight |
284.238 g/mol |
| SMILES |
C(\C(C#N)=C\OCC)(NC1=CC=CC(C(F)(F)F)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921055 |
