| SpectraBase Compound ID | 5NxOOON5YJj |
|---|---|
| InChI | InChI=1S/C14H15NO3/c1-9-13(14(17)18-2)11(8-12(16)15-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,16) |
| InChIKey | HDIJQUVQZCXAKF-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C14H15NO3 |
| Exact Mass | 245.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPq6VlDr5va |
|---|---|
| Name | 2-Keto-6-methyl-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.105193344 u |
| Formula | C14H15NO3 |
| InChI | InChI=1S/C14H15NO3/c1-9-13(14(17)18-2)11(8-12(16)15-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,16) |
| InChIKey | HDIJQUVQZCXAKF-UHFFFAOYSA-N |
| Molecular Weight | 245.278 g/mol |
| SMILES | C1(=C(NC(CC1C=1C=CC=CC1)=O)C)C(=O)OC |