| SpectraBase Spectrum ID |
6dD2I20VBob |
| Name |
Benzamide, 3-methoxy-2,4,5-trifluoro-N-benzyl-N-hexyl- |
| 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/c1-3-4-5-9-12-25(14-15-10-7-6-8-11-15)21(26)16-13-17(22)19(24)20(27-2)18(16)23/h6-8,10-11,13H,3-5,9,12,14H2,1-2H3 |
| InChIKey |
QBAHKSIBIFBZAG-UHFFFAOYSA-N |
| Molecular Weight |
379.423 g/mol |
| SMILES |
C(N(CCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C(=C(F)C1)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870556 |
