| SpectraBase Spectrum ID |
7woMmKFzuNC |
| Name |
Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-2-ethylhexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.234177273 u |
| Formula |
C21H31F4NO |
| InChI |
InChI=1S/C21H31F4NO/c1-4-7-9-14-26(15-16(6-3)11-8-5-2)20(27)17-12-10-13-18(19(17)22)21(23,24)25/h10,12-13,16H,4-9,11,14-15H2,1-3H3 |
| InChIKey |
AUHBPCKHTJUAFJ-UHFFFAOYSA-N |
| Molecular Weight |
389.479 g/mol |
| SMILES |
C1=CC=C(C(=C1C(=O)N(CCCCC)CC(CCCC)CC)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932241 |
