| SpectraBase Compound ID | DxNgSs7UHzt |
|---|---|
| InChI | InChI=1S/C18H19NO5/c1-12(2)11-23-17(20)13-7-6-8-14(19-13)18(21)24-16-10-5-4-9-15(16)22-3/h4-10,12H,11H2,1-3H3 |
| InChIKey | YOYREAMWLOSNHB-UHFFFAOYSA-N |
| Mol Weight | 329.35 g/mol |
| Molecular Formula | C18H19NO5 |
| Exact Mass | 329.126323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | lO3jBJ2Y14 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.126322711 u |
| Formula | C18H19NO5 |
| InChI | InChI=1S/C18H19NO5/c1-12(2)11-23-17(20)13-7-6-8-14(19-13)18(21)24-16-10-5-4-9-15(16)22-3/h4-10,12H,11H2,1-3H3 |
| InChIKey | YOYREAMWLOSNHB-UHFFFAOYSA-N |
| Molecular Weight | 329.352 g/mol |
| SMILES | COC1=CC=CC=C1OC(C1=NC(C(OCC(C)C)=O)=CC=C1)=O |