| SpectraBase Spectrum ID |
2aFagPBa970 |
| Name |
1-(2,6-Dichlorobenzyl)-1,6-dihydro-6-oxo-alpha,alpha,alpha-trifluoro-m-nicotinotoluidide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.030617554 u |
| Formula |
C20H13Cl2F3N2O2 |
| InChI |
InChI=1S/C20H13Cl2F3N2O2/c21-16-5-2-6-17(22)15(16)11-27-10-12(7-8-18(27)28)19(29)26-14-4-1-3-13(9-14)20(23,24)25/h1-10H,11H2,(H,26,29) |
| InChIKey |
XNSIJFPYTXYWEO-UHFFFAOYSA-N |
| Molecular Weight |
441.237 g/mol |
| SMILES |
N(C(C=1C=CC(N(C1)CC1=C(C=CC=C1Cl)Cl)=O)=O)C1=CC=CC(=C1)C(F)(F)F |
