| SpectraBase Spectrum ID |
8MTRVIhzlZb |
| Name |
Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-nonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.249827338 u |
| Formula |
C22H33F4NO |
| InChI |
InChI=1S/C22H33F4NO/c1-3-5-7-8-9-10-12-17-27(16-11-6-4-2)21(28)18-14-13-15-19(20(18)23)22(24,25)26/h13-15H,3-12,16-17H2,1-2H3 |
| InChIKey |
IFFVBYLODBEZDK-UHFFFAOYSA-N |
| Molecular Weight |
403.506 g/mol |
| SMILES |
C1=CC=C(C(=C1C(=O)N(CCCCC)CCCCCCCCC)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864799 |
