| SpectraBase Compound ID | IuyxI06wQxE |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-6-10-22-16(20)14-8-7-9-15(19-14)17(21)23-12-13(2)11-18(3,4)5/h7-9,13H,6,10-12H2,1-5H3 |
| InChIKey | NJVRBVJVODBHAF-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGe0uZEsLzo |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, propyl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-6-10-22-16(20)14-8-7-9-15(19-14)17(21)23-12-13(2)11-18(3,4)5/h7-9,13H,6,10-12H2,1-5H3 |
| InChIKey | NJVRBVJVODBHAF-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CCCOC(C=1N=C(C(OCC(CC(C)(C)C)C)=O)C=CC1)=O |