| SpectraBase Spectrum ID |
BpUt70igz7v |
| Name |
2,4-Dichloro-N-{1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)amino]propan-2-yl}benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.998015458 u |
| Formula |
C16H9Cl2F7N2O |
| InChI |
InChI=1S/C16H9Cl2F7N2O/c17-8-1-6-11(12(18)7-8)13(28)27-14(15(20,21)22,16(23,24)25)26-10-4-2-9(19)3-5-10/h1-7,26H,(H,27,28) |
| InChIKey |
AZWJIZXTGQYDCH-UHFFFAOYSA-N |
| Molecular Weight |
449.156 g/mol |
| SMILES |
C=1C(C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=CC=C(C=C2)F)=C(C=C(C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903246 |
![2,4-Dichloro-N-{1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)amino]propan-2-yl}benzamide](/api/spectrum/BpUt70igz7v/structure.png?h=300&w=458 "2,4-Dichloro-N-{1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)amino]propan-2-yl}benzamide")
