| SpectraBase Compound ID | 1KGrLyEq0Ny |
|---|---|
| InChI | InChI=1S/C22H35NO4/c1-3-5-6-7-8-9-10-11-12-13-18-27-22(25)20-16-14-15-19(23-20)21(24)26-17-4-2/h14-16H,3-13,17-18H2,1-2H3 |
| InChIKey | GIZUNPSGBYNVGY-UHFFFAOYSA-N |
| Mol Weight | 377.5 g/mol |
| Molecular Formula | C22H35NO4 |
| Exact Mass | 377.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3B3MjnJH5nO |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, dodecyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.256608607 u |
| Formula | C22H35NO4 |
| InChI | InChI=1S/C22H35NO4/c1-3-5-6-7-8-9-10-11-12-13-18-27-22(25)20-16-14-15-19(23-20)21(24)26-17-4-2/h14-16H,3-13,17-18H2,1-2H3 |
| InChIKey | GIZUNPSGBYNVGY-UHFFFAOYSA-N |
| Molecular Weight | 377.525 g/mol |
| SMILES | CCCOC(C=1N=C(C(OCCCCCCCCCCCC)=O)C=CC1)=O |