| SpectraBase Compound ID | Cyy6WQUfSET |
|---|---|
| InChI | InChI=1S/C19H21NO4/c1-14(2)13-24-19(22)17-10-6-9-16(20-17)18(21)23-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3 |
| InChIKey | TZKVLZPGKZHHNX-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 | LBhAY1UIfS6 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl 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/c1-14(2)13-24-19(22)17-10-6-9-16(20-17)18(21)23-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3 |
| InChIKey | TZKVLZPGKZHHNX-UHFFFAOYSA-N |
| Molecular Weight | 327.380 g/mol |
| SMILES | C1=CC=CC(=C1)CCOC(C1=NC(C(OCC(C)C)=O)=CC=C1)=O |