| SpectraBase Compound ID | O5RdW4dXz7 |
|---|---|
| InChI | InChI=1S/C16H16F2N2OS/c17-15(18)21-14-9-5-4-8-13(14)20-16(22)19-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,19,20,22) |
| InChIKey | ASRYLQXOZGVHOZ-UHFFFAOYSA-N |
| Mol Weight | 322.37 g/mol |
| Molecular Formula | C16H16F2N2OS |
| Exact Mass | 322.095141 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J0P40hISbm |
|---|---|
| Name | 1-(2-Difluoromethoxy-phenyl)-3-phenethyl-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.095140642 u |
| Formula | C16H16F2N2OS |
| InChI | InChI=1S/C16H16F2N2OS/c17-15(18)21-14-9-5-4-8-13(14)20-16(22)19-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,19,20,22) |
| InChIKey | ASRYLQXOZGVHOZ-UHFFFAOYSA-N |
| Molecular Weight | 322.374 g/mol |
| SMILES | C(NC1=C(C=CC=C1)OC(F)F)(=S)NCCC1=CC=CC=C1 |