| SpectraBase Compound ID | C9rTiVMNeyr |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-4-6-7-12-22-17(20)15-10-8-11-16(19-15)18(21)23-13-14(3)9-5-2/h8,10-11,14H,4-7,9,12-13H2,1-3H3 |
| InChIKey | LWXVZZHSNBHYLS-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 | HEu9wHfYGS8 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 2-methylpentyl pentyl 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/c1-4-6-7-12-22-17(20)15-10-8-11-16(19-15)18(21)23-13-14(3)9-5-2/h8,10-11,14H,4-7,9,12-13H2,1-3H3 |
| InChIKey | LWXVZZHSNBHYLS-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CCCCCOC(C=1N=C(C(OCC(CCC)C)=O)C=CC1)=O |