| SpectraBase Spectrum ID |
FHu4mI1pyHU |
| Name |
Trans-cinnamamide, N-(3-chlorophenyl)-3-trifluoromethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.048126166 u |
| Formula |
C16H11ClF3NO |
| InChI |
InChI=1S/C16H11ClF3NO/c17-13-5-2-6-14(10-13)21-15(22)8-7-11-3-1-4-12(9-11)16(18,19)20/h1-10H,(H,21,22)/b8-7+ |
| InChIKey |
SMMFWYAGPPOQMC-BQYQJAHWSA-N |
| Molecular Weight |
325.718 g/mol |
| SMILES |
C1(=CC=CC(=C1)\C=C\C(NC1=CC(=CC=C1)Cl)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892531 |
