| SpectraBase Compound ID | BOtXay2aOSN |
|---|---|
| InChI | InChI=1S/C14H15NO3/c1-18-14(17)9-4-2-3-8-13(16)11-12-7-5-6-10-15-12/h5-7,10H,2-3,8,11H2,1H3 |
| InChIKey | MYMHOIGAHXCWOG-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 | FPcRlJusOBR |
|---|---|
| Name | Methyl 7-oxo-8-(pyridin-2-yl)oct-2-ynoate |
| 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/c1-18-14(17)9-4-2-3-8-13(16)11-12-7-5-6-10-15-12/h5-7,10H,2-3,8,11H2,1H3 |
| InChIKey | MYMHOIGAHXCWOG-UHFFFAOYSA-N |
| Molecular Weight | 245.278 g/mol |
| SMILES | C(C#CCCCC(CC=1C=CC=CN1)=O)(=O)OC |