| SpectraBase Spectrum ID |
Il5CUhfCbi0 |
| Name |
Trans-cinnamamide, N-heptyl-N-octyl-3-trifluoromethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.290549336 u |
| Formula |
C25H38F3NO |
| InChI |
InChI=1S/C25H38F3NO/c1-3-5-7-9-11-13-20-29(19-12-10-8-6-4-2)24(30)18-17-22-15-14-16-23(21-22)25(26,27)28/h14-18,21H,3-13,19-20H2,1-2H3/b18-17+ |
| InChIKey |
BQDWRCAUWXEUTQ-ISLYRVAYSA-N |
| Molecular Weight |
425.580 g/mol |
| SMILES |
C1(=CC=CC(=C1)\C=C\C(N(CCCCCCC)CCCCCCCC)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83369 |
