| SpectraBase Spectrum ID |
3ODq76wjfus |
| Name |
Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.218527209 u |
| Formula |
C20H29F4NO |
| InChI |
InChI=1S/C20H29F4NO/c1-3-5-7-8-10-15-25(14-9-6-4-2)19(26)16-12-11-13-17(18(16)21)20(22,23)24/h11-13H,3-10,14-15H2,1-2H3 |
| InChIKey |
ORJAYIOWISLTOT-UHFFFAOYSA-N |
| Molecular Weight |
375.452 g/mol |
| SMILES |
C1=CC=C(C(=C1C(=O)N(CCCCC)CCCCCCC)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844198 |
