| SpectraBase Compound ID | 8kekh7CIIPc |
|---|---|
| InChI | InChI=1S/C17H17NO4/c1-2-21-16(19)14-9-6-10-15(18-14)17(20)22-12-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3 |
| InChIKey | FZQSXFXHIOPKEI-UHFFFAOYSA-N |
| Mol Weight | 299.33 g/mol |
| Molecular Formula | C17H17NO4 |
| Exact Mass | 299.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dth6C79UGhw |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, ethyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.115758027 u |
| Formula | C17H17NO4 |
| InChI | InChI=1S/C17H17NO4/c1-2-21-16(19)14-9-6-10-15(18-14)17(20)22-12-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3 |
| InChIKey | FZQSXFXHIOPKEI-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CCOC(C1=NC(C(OCC)=O)=CC=C1)=O |