| SpectraBase Compound ID | 8cSOG6TyZ9x |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-5-7-13(4)11-22-17(20)15-9-6-8-14(18-15)16(19)21-10-12(2)3/h6,8-9,12-13H,5,7,10-11H2,1-4H3 |
| InChIKey | NNPIMAXRPRVLCH-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 | 5uBCVoll31V |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl 2-methylpentyl 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/c1-5-7-13(4)11-22-17(20)15-9-6-8-14(18-15)16(19)21-10-12(2)3/h6,8-9,12-13H,5,7,10-11H2,1-4H3 |
| InChIKey | NNPIMAXRPRVLCH-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CC(C)COC(C=1N=C(C(OCC(CCC)C)=O)C=CC1)=O |