| SpectraBase Compound ID | 5xrDYoRPyAK |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-3-5-6-7-8-9-10-14-23-18(21)16-13-11-12-15(19-16)17(20)22-4-2/h11-13H,3-10,14H2,1-2H3 |
| InChIKey | WTLITYBMPVIRBQ-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBQe2uJaLPL |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, ethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-3-5-6-7-8-9-10-14-23-18(21)16-13-11-12-15(19-16)17(20)22-4-2/h11-13H,3-10,14H2,1-2H3 |
| InChIKey | WTLITYBMPVIRBQ-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CCCCCCCCCOC(C1=NC(C(OCC)=O)=CC=C1)=O |