| SpectraBase Compound ID | FHDVBwRCxQT |
|---|---|
| InChI | InChI=1S/C16H13N3S2/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H2,17,18,19,20) |
| InChIKey | LCQSENRURIGCIP-UHFFFAOYSA-N |
| Mol Weight | 311.42 g/mol |
| Molecular Formula | C16H13N3S2 |
| Exact Mass | 311.05509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3h67oM58fST |
|---|---|
| Name | 1-Phenyl-3-(4-phenyl-thiazol-2-yl)-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.055089779 u |
| Formula | C16H13N3S2 |
| InChI | InChI=1S/C16H13N3S2/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H2,17,18,19,20) |
| InChIKey | LCQSENRURIGCIP-UHFFFAOYSA-N |
| Molecular Weight | 311.421 g/mol |
| SMILES | C(NC1=NC(C2=CC=CC=C2)=CS1)(=S)NC1=CC=CC=C1 |