| SpectraBase Spectrum ID |
g3jydLFEqX |
| Name |
1-(2,6-Difluoro-benzoyl)-3-(2-fluoromethanesulfonyl-phenyl)-urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.039162501 u |
| Formula |
C15H11F3N2O4S |
| InChI |
InChI=1S/C15H11F3N2O4S/c16-8-25(23,24)12-7-2-1-6-11(12)19-15(22)20-14(21)13-9(17)4-3-5-10(13)18/h1-7H,8H2,(H2,19,20,21,22) |
| InChIKey |
VMYJDEPNTKULJJ-UHFFFAOYSA-N |
| Molecular Weight |
372.318 g/mol |
| SMILES |
C=1C=CC(S(=O)(=O)CF)=C(NC(NC(C2=C(F)C=CC=C2F)=O)=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86893 |
