| SpectraBase Spectrum ID |
98rCYiEpQW1 |
| Name |
3-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-2,5,6-trifluoro-4-(pyridin-2-yl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.197711576 u |
| Formula |
C22H26F3N3O2 |
| InChI |
InChI=1S/C22H26F3N3O2/c1-5-27(6-2)16(29)13-14-17(15-11-9-10-12-26-15)20(24)21(25)18(19(14)23)22(30)28(7-3)8-4/h9-12H,5-8,13H2,1-4H3 |
| InChIKey |
KPBFLHIZZCWKJX-UHFFFAOYSA-N |
| Molecular Weight |
421.464 g/mol |
| SMILES |
C=1C=CC=NC1C1=C(C(=C(C(F)=C1CC(N(CC)CC)=O)C(=O)N(CC)CC)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935942 |
