| SpectraBase Spectrum ID |
I35ktLZhypH |
| Name |
Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-octyl- |
| 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/c1-3-5-7-8-9-11-16-26(15-10-6-4-2)20(27)17-13-12-14-18(19(17)22)21(23,24)25/h12-14H,3-11,15-16H2,1-2H3 |
| InChIKey |
ZCGJJMNRMGBSCK-UHFFFAOYSA-N |
| Molecular Weight |
389.479 g/mol |
| SMILES |
C1=CC=C(C(=C1C(=O)N(CCCCC)CCCCCCCC)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836809 |
