![N-[2-(Trifluoromethyl)phenyl]thiourea](/api/spectrum/6hDN6DGDXuB/structure.png?h=300&w=458 "N-[2-(Trifluoromethyl)phenyl]thiourea")
| SpectraBase Compound ID | IMrmyjjuOAB |
|---|---|
| InChI | InChI=1S/C8H7F3N2S/c9-8(10,11)5-3-1-2-4-6(5)13-7(12)14/h1-4H,(H3,12,13,14) |
| InChIKey | FVXFFFHGYOYYQX-UHFFFAOYSA-N |
| Mol Weight | 220.21 g/mol |
| Molecular Formula | C8H7F3N2S |
| Exact Mass | 220.028204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6hDN6DGDXuB |
|---|---|
| Name | N-[2-(Trifluoromethyl)phenyl]thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.028203896 u |
| Formula | C8H7F3N2S |
| InChI | InChI=1S/C8H7F3N2S/c9-8(10,11)5-3-1-2-4-6(5)13-7(12)14/h1-4H,(H3,12,13,14) |
| InChIKey | FVXFFFHGYOYYQX-UHFFFAOYSA-N |
| Molecular Weight | 220.213 g/mol |
| SMILES | C(F)(F)(F)C=1C(=CC=CC1)NC(N)=S |