| SpectraBase Spectrum ID |
8VSKbo188wK |
| Name |
Benzamide, N,N-diheptyl-2,3,4-trifluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.243599142 u |
| Formula |
C21H32F3NO |
| InChI |
InChI=1S/C21H32F3NO/c1-3-5-7-9-11-15-25(16-12-10-8-6-4-2)21(26)17-13-14-18(22)20(24)19(17)23/h13-14H,3-12,15-16H2,1-2H3 |
| InChIKey |
KHQJSACENQBMDQ-UHFFFAOYSA-N |
| Molecular Weight |
371.488 g/mol |
| SMILES |
C1(=C(C=CC(=C1F)C(N(CCCCCCC)CCCCCCC)=O)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939413 |
