| SpectraBase Compound ID | DNiqRScr8HY |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-4-5-6-7-8-12-21-16(19)14-10-9-11-15(18-14)17(20)22-13(2)3/h9-11,13H,4-8,12H2,1-3H3 |
| InChIKey | JWYAFPAXBOIFKC-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 | 8i4N7XJ5b3i |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, heptyl isopropyl 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/c1-4-5-6-7-8-12-21-16(19)14-10-9-11-15(18-14)17(20)22-13(2)3/h9-11,13H,4-8,12H2,1-3H3 |
| InChIKey | JWYAFPAXBOIFKC-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CC(OC(C1=NC(C(OCCCCCCC)=O)=CC=C1)=O)C |