| SpectraBase Compound ID | KkiO4hBEh34 |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-11(2)8-9-20-15(18)13-6-5-7-14(17-13)16(19)21-10-12(3)4/h5-7,11-12H,8-10H2,1-4H3 |
| InChIKey | BIAZYGJTTLVXFT-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53KUTJPGoe5 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-11(2)8-9-20-15(18)13-6-5-7-14(17-13)16(19)21-10-12(3)4/h5-7,11-12H,8-10H2,1-4H3 |
| InChIKey | BIAZYGJTTLVXFT-UHFFFAOYSA-N |
| SMILES | CC(C)CCOC(C1=NC(C(OCC(C)C)=O)=CC=C1)=O |