| SpectraBase Compound ID | 1HQnZIJHGqu |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-5-7-11-21-16(19)14-9-8-10-15(18-14)17(20)22-13(4)12(3)6-2/h8-10,12-13H,5-7,11H2,1-4H3 |
| InChIKey | HZTOFJPDOPVGJA-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 | 2KoG9wl4Ui9 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl 3-methylpent-2-yl 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/c1-5-7-11-21-16(19)14-9-8-10-15(18-14)17(20)22-13(4)12(3)6-2/h8-10,12-13H,5-7,11H2,1-4H3 |
| InChIKey | HZTOFJPDOPVGJA-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CC(OC(C1=NC(C(OCCCC)=O)=CC=C1)=O)C(CC)C |