| SpectraBase Spectrum ID |
54o639vyKMW |
| Name |
Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-decyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.265477402 u |
| Formula |
C23H35F4NO |
| InChI |
InChI=1S/C23H35F4NO/c1-3-5-7-8-9-10-11-13-18-28(17-12-6-4-2)22(29)19-15-14-16-20(21(19)24)23(25,26)27/h14-16H,3-13,17-18H2,1-2H3 |
| InChIKey |
PNUKYXIDTGVUJO-UHFFFAOYSA-N |
| Molecular Weight |
417.533 g/mol |
| SMILES |
C1=CC=C(C(=C1C(=O)N(CCCCC)CCCCCCCCCC)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849362 |
