| SpectraBase Compound ID | 97az2aqUCvy |
|---|---|
| InChI | InChI=1S/C16H12N2O/c1-12-2-8-15(11-18-12)16(19)9-7-13-3-5-14(10-17)6-4-13/h2-9,11H,1H3/b9-7+ |
| InChIKey | LXULMZPFOAQVSY-VQHVLOKHSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C16H12N2O |
| Exact Mass | 248.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbXER7yTQ2r |
|---|---|
| Name | p-Cyanostyryl 6-methyl-3-pyridyl ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.094963013 u |
| Formula | C16H12N2O |
| InChI | InChI=1S/C16H12N2O/c1-12-2-8-15(11-18-12)16(19)9-7-13-3-5-14(10-17)6-4-13/h2-9,11H,1H3/b9-7+ |
| InChIKey | LXULMZPFOAQVSY-VQHVLOKHSA-N |
| Molecular Weight | 248.285 g/mol |
| SMILES | C1(=CC=C(C=C1)C#N)\C=C\C(C1=CN=C(C)C=C1)=O |