| SpectraBase Compound ID | 7kncYcIIOx7 |
|---|---|
| InChI | InChI=1S/C19H21NO4/c1-2-3-13-23-18(21)16-10-7-11-17(20-16)19(22)24-14-12-15-8-5-4-6-9-15/h4-11H,2-3,12-14H2,1H3 |
| InChIKey | KSLNZABWRXXCPT-UHFFFAOYSA-N |
| Mol Weight | 327.38 g/mol |
| Molecular Formula | C19H21NO4 |
| Exact Mass | 327.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3IDGRihH76g |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.147058156 u |
| Formula | C19H21NO4 |
| InChI | InChI=1S/C19H21NO4/c1-2-3-13-23-18(21)16-10-7-11-17(20-16)19(22)24-14-12-15-8-5-4-6-9-15/h4-11H,2-3,12-14H2,1H3 |
| InChIKey | KSLNZABWRXXCPT-UHFFFAOYSA-N |
| Molecular Weight | 327.380 g/mol |
| SMILES | C1=CC=CC(=C1)CCOC(C1=NC(C(OCCCC)=O)=CC=C1)=O |