![1,3-Bis[4-(trifluoromethyl)phenyl]thiourea](/api/spectrum/FIzGqXKZKZV/structure.png?h=300&w=458 "1,3-Bis[4-(trifluoromethyl)phenyl]thiourea")
| SpectraBase Compound ID | JbJejuj2OD0 |
|---|---|
| InChI | InChI=1S/C15H10F6N2S/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21/h1-8H,(H2,22,23,24) |
| InChIKey | ABYZUZQRUYXHCW-UHFFFAOYSA-N |
| Mol Weight | 364.31 g/mol |
| Molecular Formula | C15H10F6N2S |
| Exact Mass | 364.046888 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIzGqXKZKZV |
|---|---|
| Name | 1,3-bis[4-(Trifluoromethyl)phenyl]thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.046888482 u |
| Formula | C15H10F6N2S |
| InChI | InChI=1S/C15H10F6N2S/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21/h1-8H,(H2,22,23,24) |
| InChIKey | ABYZUZQRUYXHCW-UHFFFAOYSA-N |
| Molecular Weight | 364.309 g/mol |
| SMILES | C(F)(F)(F)C1=CC=C(C=C1)NC(NC=1C=CC(=CC1)C(F)(F)F)=S |