| SpectraBase Spectrum ID |
9NHbqxN3RWL |
| Name |
3-(3-Chloro-4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.048223608 u |
| Formula |
C18H14ClF4N3OS |
| InChI |
InChI=1S/C18H14ClF4N3OS/c1-10-9-24-17(28-10)26(13-4-2-3-11(7-13)18(21,22)23)16(27)25-12-5-6-15(20)14(19)8-12/h2-8,10H,9H2,1H3,(H,25,27) |
| InChIKey |
XIUVAQVUIOBRLH-UHFFFAOYSA-N |
| Molecular Weight |
431.837 g/mol |
| SMILES |
C(=O)(N(C1=CC(=CC=C1)C(F)(F)F)C1=NCC(S1)C)NC1=CC=C(C(=C1)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917612 |
![3-(3-Chloro-4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea](/api/spectrum/9NHbqxN3RWL/structure.png?h=300&w=458 "3-(3-Chloro-4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea")
