| SpectraBase Compound ID | K21vLPbCbnm |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-11(2)9-20-14(18)12-7-6-8-13(17-12)15(19)21-10-16(3,4)5/h6-8,11H,9-10H2,1-5H3 |
| InChIKey | VSSCWKWPZDMWJX-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 | DckG5tgOLyy |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl neopentyl 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)9-20-14(18)12-7-6-8-13(17-12)15(19)21-10-16(3,4)5/h6-8,11H,9-10H2,1-5H3 |
| InChIKey | VSSCWKWPZDMWJX-UHFFFAOYSA-N |
| SMILES | CC(C)COC(C=1N=C(C(OCC(C)(C)C)=O)C=CC1)=O |