| SpectraBase Compound ID | AlUgIUxJV8M |
|---|---|
| InChI | InChI=1S/C16H14N2O2/c1-11-8-12(2)18-16(14(11)9-17)20-10-15(19)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3 |
| InChIKey | ZREGLHYIEYIJGQ-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C16H14N2O2 |
| Exact Mass | 266.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBOvU6IrTqO |
|---|---|
| Name | 4,6-Dimethyl-2-(2-oxo-2-phenylethoxy)nicotinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.105527697 u |
| Formula | C16H14N2O2 |
| InChI | InChI=1S/C16H14N2O2/c1-11-8-12(2)18-16(14(11)9-17)20-10-15(19)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3 |
| InChIKey | ZREGLHYIEYIJGQ-UHFFFAOYSA-N |
| Molecular Weight | 266.300 g/mol |
| SMILES | C=1(C(=NC(=CC1C)C)OCC(=O)C=1C=CC=CC1)C#N |