| SpectraBase Spectrum ID |
BXV8FsZKCvn |
| Name |
1-[2,2,2-Trifluoro-N'-(4-methylphenyl)ethanimidamido]-3-[3-(trifluoromethyl)phenyl]urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.107180064 u |
| Formula |
C17H14F6N4O |
| InChI |
InChI=1S/C17H14F6N4O/c1-10-5-7-12(8-6-10)24-14(17(21,22)23)26-27-15(28)25-13-4-2-3-11(9-13)16(18,19)20/h2-9H,1H3,(H,24,26)(H2,25,27,28) |
| InChIKey |
YUOVBQFTDPKKSK-UHFFFAOYSA-N |
| Molecular Weight |
404.316 g/mol |
| SMILES |
C1=CC=C(C=C1C(F)(F)F)NC(=O)NN\C(C(F)(F)F)=N/C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942594 |
![1-[2,2,2-trifluoro-N'-(4-methylphenyl)ethanimidamido]-3-[3-(trifluoromethyl)phenyl]urea](/api/spectrum/BXV8FsZKCvn/structure.png?h=300&w=458 "1-[2,2,2-trifluoro-N'-(4-methylphenyl)ethanimidamido]-3-[3-(trifluoromethyl)phenyl]urea")
