![1-(Trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]urea](/api/spectrum/DXkecFJRtfE/structure.png?h=300&w=458 "1-(Trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]urea")
| SpectraBase Compound ID | 8VcGF2e7mnK |
|---|---|
| InChI | InChI=1S/C9H6F6N2O/c10-8(11,12)5-2-1-3-6(4-5)16-7(18)17-9(13,14)15/h1-4H,(H2,16,17,18) |
| InChIKey | CFJKKWDZGCUHMA-UHFFFAOYSA-N |
| Mol Weight | 272.15 g/mol |
| Molecular Formula | C9H6F6N2O |
| Exact Mass | 272.038432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXkecFJRtfE |
|---|---|
| Name | 1-(Trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.038431798 u |
| Formula | C9H6F6N2O |
| InChI | InChI=1S/C9H6F6N2O/c10-8(11,12)5-2-1-3-6(4-5)16-7(18)17-9(13,14)15/h1-4H,(H2,16,17,18) |
| InChIKey | CFJKKWDZGCUHMA-UHFFFAOYSA-N |
| Molecular Weight | 272.150 g/mol |
| SMILES | C(NC(NC1=CC=CC(C(F)(F)F)=C1)=O)(F)(F)F |