| SpectraBase Compound ID | CJ7c9KofGoW |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-16-11-5-3-4-9(13-11)6-7-10(14)8-12(15)17-2/h3-5H,6-8H2,1-2H3 |
| InChIKey | OVXNPXNDDGZDJR-UHFFFAOYSA-N |
| Mol Weight | 237.25 g/mol |
| Molecular Formula | C12H15NO4 |
| Exact Mass | 237.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ws5VPLcTHy |
|---|---|
| Name | 3-Keto-5-(6-methoxy-2-pyridyl)valeric acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.100107963 u |
| Formula | C12H15NO4 |
| InChI | InChI=1S/C12H15NO4/c1-16-11-5-3-4-9(13-11)6-7-10(14)8-12(15)17-2/h3-5H,6-8H2,1-2H3 |
| InChIKey | OVXNPXNDDGZDJR-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C1(=NC(=CC=C1)CCC(CC(=O)OC)=O)OC |