| SpectraBase Spectrum ID |
1CI0wpw2BoQ |
| Name |
Benzamide, 2,4,5-trifluoro-3-methoxy-N-(2-phenylethyl)-N-pentyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.175913504 u |
| Formula |
C21H24F3NO2 |
| InChI |
InChI=1S/C21H24F3NO2/c1-3-4-8-12-25(13-11-15-9-6-5-7-10-15)21(26)16-14-17(22)19(24)20(27-2)18(16)23/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3 |
| InChIKey |
OKCSXGAPNNEHIQ-UHFFFAOYSA-N |
| Molecular Weight |
379.423 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=C(C(F)=C(C1)F)OC)F)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911619 |
