| SpectraBase Spectrum ID |
6DWvecRixDW |
| Name |
1-(5,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-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 |
393.112267874 u |
| Formula |
C19H18F3N3OS |
| InChI |
InChI=1S/C19H18F3N3OS/c1-18(2)12-23-17(27-18)25(16(26)24-14-8-4-3-5-9-14)15-10-6-7-13(11-15)19(20,21)22/h3-11H,12H2,1-2H3,(H,24,26) |
| InChIKey |
MXIRYBKJWGCJOI-UHFFFAOYSA-N |
| Molecular Weight |
393.428 g/mol |
| SMILES |
C1(N(C(=O)NC2=CC=CC=C2)C2=CC(=CC=C2)C(F)(F)F)=NCC(S1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936015 |
![1-(5,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea](/api/spectrum/6DWvecRixDW/structure.png?h=300&w=458 "1-(5,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea")
