| SpectraBase Compound ID | 1um8AqAcZbb |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-4-7-9-13(5-2)12-22-17(20)15-11-8-10-14(18-15)16(19)21-6-3/h8,10-11,13H,4-7,9,12H2,1-3H3 |
| InChIKey | YISRFIOSJBSHQX-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kg1Xw3opeu3 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, ethyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-4-7-9-13(5-2)12-22-17(20)15-11-8-10-14(18-15)16(19)21-6-3/h8,10-11,13H,4-7,9,12H2,1-3H3 |
| InChIKey | YISRFIOSJBSHQX-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C1=CC(=NC(=C1)C(OCC(CC)CCCC)=O)C(OCC)=O |