| SpectraBase Compound ID | 7QW1b94deOu |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-4-5-6-10-20-15(18)13-8-7-9-14(17-13)16(19)21-11-12(2)3/h7-9,12H,4-6,10-11H2,1-3H3 |
| InChIKey | YPRIGABXAUBAAN-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 | 5vwSOYdiKJO |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl pentyl 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/c1-4-5-6-10-20-15(18)13-8-7-9-14(17-13)16(19)21-11-12(2)3/h7-9,12H,4-6,10-11H2,1-3H3 |
| InChIKey | YPRIGABXAUBAAN-UHFFFAOYSA-N |
| SMILES | CCCCCOC(C1=NC(C(OCC(C)C)=O)=CC=C1)=O |