| SpectraBase Compound ID | HqgnDc1RyKV |
|---|---|
| InChI | InChI=1S/C14H14N2O3/c1-2-19-14(18)13-8-4-7-12(16-13)11-6-3-5-10(9-17)15-11/h3-8,17H,2,9H2,1H3 |
| InChIKey | XABPBURDDDQWES-UHFFFAOYSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C14H14N2O3 |
| Exact Mass | 258.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CErh9LHOWZd |
|---|---|
| Name | 6-Hydroxymethyl-6'-ethoxycarbonyl-2,2'-bipyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.100442316 u |
| Formula | C14H14N2O3 |
| InChI | InChI=1S/C14H14N2O3/c1-2-19-14(18)13-8-4-7-12(16-13)11-6-3-5-10(9-17)15-11/h3-8,17H,2,9H2,1H3 |
| InChIKey | XABPBURDDDQWES-UHFFFAOYSA-N |
| SMILES | C=1(N=C(C=CC1)C1=NC(CO)=CC=C1)C(=O)OCC |