| SpectraBase Compound ID | EkeK8S1IDEZ |
|---|---|
| InChI | InChI=1S/C14H12N2O/c1-10-8-13(11-6-4-3-5-7-11)16-14(17-2)12(10)9-15/h3-8H,1-2H3 |
| InChIKey | PNJHZCDJIBKZEQ-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C14H12N2O |
| Exact Mass | 224.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ey9zaGeRB2S |
|---|---|
| Name | 3-Pyridinecarbonitrile, 2-methoxy-4-methyl-6-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.094963013 u |
| Formula | C14H12N2O |
| InChI | InChI=1S/C14H12N2O/c1-10-8-13(11-6-4-3-5-7-11)16-14(17-2)12(10)9-15/h3-8H,1-2H3 |
| InChIKey | PNJHZCDJIBKZEQ-UHFFFAOYSA-N |
| Molecular Weight | 224.263 g/mol |
| SMILES | COC1=NC(=CC(C)=C1C#N)C1=CC=CC=C1 |