| SpectraBase Compound ID | VAPtMo1egb |
|---|---|
| InChI | InChI=1S/C14H19NO4/c1-4-5-9-18-13(16)11-7-6-8-12(15-11)14(17)19-10(2)3/h6-8,10H,4-5,9H2,1-3H3 |
| InChIKey | LIBLDICEOSXCLW-UHFFFAOYSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C14H19NO4 |
| Exact Mass | 265.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VKsNLTcgFU |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.131408092 u |
| Formula | C14H19NO4 |
| InChI | InChI=1S/C14H19NO4/c1-4-5-9-18-13(16)11-7-6-8-12(15-11)14(17)19-10(2)3/h6-8,10H,4-5,9H2,1-3H3 |
| InChIKey | LIBLDICEOSXCLW-UHFFFAOYSA-N |
| Molecular Weight | 265.309 g/mol |
| SMILES | CCCCOC(C=1N=C(C(OC(C)C)=O)C=CC1)=O |