| SpectraBase Compound ID | 2EVb4uXLREH |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-12(2)8-10-21-16(19)14-6-5-7-15(18-14)17(20)22-11-9-13(3)4/h5-7,12-13H,8-11H2,1-4H3 |
| InChIKey | LLTUXTPOCRCNJA-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 | FOWPhGldgiJ |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, di(3-methylbutyl) 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/c1-12(2)8-10-21-16(19)14-6-5-7-15(18-14)17(20)22-11-9-13(3)4/h5-7,12-13H,8-11H2,1-4H3 |
| InChIKey | LLTUXTPOCRCNJA-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CC(C)CCOC(C=1N=C(C(OCCC(C)C)=O)C=CC1)=O |