| SpectraBase Compound ID | 8OPapLQbJBI |
|---|---|
| InChI | InChI=1S/C16H12N2OS/c19-14(12-7-3-1-4-8-12)11-15-17-18-16(20-15)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | YPTKOFSSPMGOCB-UHFFFAOYSA-N |
| Mol Weight | 280.35 g/mol |
| Molecular Formula | C16H12N2OS |
| Exact Mass | 280.067034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7Sz0JRk92X |
|---|---|
| Name | 1-Phenyl-2-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.067034187 u |
| Formula | C16H12N2OS |
| InChI | InChI=1S/C16H12N2OS/c19-14(12-7-3-1-4-8-12)11-15-17-18-16(20-15)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | YPTKOFSSPMGOCB-UHFFFAOYSA-N |
| SMILES | C=1(SC(=NN1)C=1C=CC=CC1)CC(C=1C=CC=CC1)=O |