| SpectraBase Compound ID | DShHXsf22Vy |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-4-7-12(3)11-21-16(19)14-9-6-8-13(17-14)15(18)20-10-5-2/h6,8-9,12H,4-5,7,10-11H2,1-3H3 |
| InChIKey | JXQVGZCZCDOEBZ-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ir97aPXbV4f |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 2-methylpentyl propyl 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/c1-4-7-12(3)11-21-16(19)14-9-6-8-13(17-14)15(18)20-10-5-2/h6,8-9,12H,4-5,7,10-11H2,1-3H3 |
| InChIKey | JXQVGZCZCDOEBZ-UHFFFAOYSA-N |
| SMILES | CCCOC(C=1N=C(C(OCC(CCC)C)=O)C=CC1)=O |