| SpectraBase Compound ID | LPxbQv3jS2D |
|---|---|
| InChI | InChI=1S/C13H12N2O/c1-9-12(8-14)11(7-13(16)15-9)10-5-3-2-4-6-10/h2-6,11H,7H2,1H3,(H,15,16) |
| InChIKey | VOWWGPXZMYRPNS-UHFFFAOYSA-N |
| Mol Weight | 212.25 g/mol |
| Molecular Formula | C13H12N2O |
| Exact Mass | 212.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ibWrlUApOv |
|---|---|
| Name | 5-Cyano-1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenylpyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.094963013 u |
| Formula | C13H12N2O |
| InChI | InChI=1S/C13H12N2O/c1-9-12(8-14)11(7-13(16)15-9)10-5-3-2-4-6-10/h2-6,11H,7H2,1H3,(H,15,16) |
| InChIKey | VOWWGPXZMYRPNS-UHFFFAOYSA-N |
| Molecular Weight | 212.252 g/mol |
| SMILES | C1(=C(NC(CC1C1=CC=CC=C1)=O)C)C#N |