| SpectraBase Compound ID | 7NO7BxmiZHH |
|---|---|
| InChI | InChI=1S/C18H14N2OS/c1-13-17(16(21)10-9-14-6-3-2-4-7-14)22-18(20-13)15-8-5-11-19-12-15/h2-12H,1H3/b10-9+ |
| InChIKey | PIYAEPXKBYRWOR-MDZDMXLPSA-N |
| Mol Weight | 306.38 g/mol |
| Molecular Formula | C18H14N2OS |
| Exact Mass | 306.082684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jZAe8Gs7Uq |
|---|---|
| Name | 1-(4-Methyl-2-pyridin-3-yl-thiazol-5-yl)-3-phenylpropenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.082684252 u |
| Formula | C18H14N2OS |
| InChI | InChI=1S/C18H14N2OS/c1-13-17(16(21)10-9-14-6-3-2-4-7-14)22-18(20-13)15-8-5-11-19-12-15/h2-12H,1H3/b10-9+ |
| InChIKey | PIYAEPXKBYRWOR-MDZDMXLPSA-N |
| Molecular Weight | 306.383 g/mol |
| SMILES | C=1(SC(C=2C=NC=CC2)=NC1C)C(\C=C\C1=CC=CC=C1)=O |