| SpectraBase Compound ID | Dpxk7CxhlVP |
|---|---|
| InChI | InChI=1S/C18H19NO5/c1-3-4-12-23-17(20)13-8-7-9-14(19-13)18(21)24-16-11-6-5-10-15(16)22-2/h5-11H,3-4,12H2,1-2H3 |
| InChIKey | HHLABJALWWGJNK-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 | 9LMshSkv9qs |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl 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/c1-3-4-12-23-17(20)13-8-7-9-14(19-13)18(21)24-16-11-6-5-10-15(16)22-2/h5-11H,3-4,12H2,1-2H3 |
| InChIKey | HHLABJALWWGJNK-UHFFFAOYSA-N |
| Molecular Weight | 329.352 g/mol |
| SMILES | C1=CC=C(C(=C1)OC(C1=NC(=CC=C1)C(OCCCC)=O)=O)OC |