| SpectraBase Spectrum ID |
9QyrVj5KIcc |
| Name |
Benzamide, 2,4,5-trifluoro-3-methoxy-N-(2-phenylethyl)-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.191563568 u |
| Formula |
C22H26F3NO2 |
| InChI |
InChI=1S/C22H26F3NO2/c1-3-4-5-9-13-26(14-12-16-10-7-6-8-11-16)22(27)17-15-18(23)20(25)21(28-2)19(17)24/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3 |
| InChIKey |
XPSWTCXTXIZNGS-UHFFFAOYSA-N |
| Molecular Weight |
393.450 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=C(C(F)=C(C1)F)OC)F)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876864 |
