| SpectraBase Compound ID | GP4SGynnTWz |
|---|---|
| InChI | InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-10-14-24-19(22)17-12-11-13-18(21-17)20(23)25-15-16(2)3/h11-13,16H,4-10,14-15H2,1-3H3 |
| InChIKey | IHOKVKLGLWUMEJ-UHFFFAOYSA-N |
| Mol Weight | 349.47 g/mol |
| Molecular Formula | C20H31NO4 |
| Exact Mass | 349.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmohM1eyVMn |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.225308478 u |
| Formula | C20H31NO4 |
| InChI | InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-10-14-24-19(22)17-12-11-13-18(21-17)20(23)25-15-16(2)3/h11-13,16H,4-10,14-15H2,1-3H3 |
| InChIKey | IHOKVKLGLWUMEJ-UHFFFAOYSA-N |
| Molecular Weight | 349.471 g/mol |
| SMILES | CCCCCCCCCOC(C=1N=C(C(OCC(C)C)=O)C=CC1)=O |