| SpectraBase Compound ID | HpA5N00A4wr |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-5-7-12-22-17(20)14-10-8-11-15(19-14)18(21)23-16(9-6-2)13(3)4/h8,10-11,13,16H,5-7,9,12H2,1-4H3 |
| InChIKey | RJJHLVIZVIPQPT-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 | 8Js6MmJmMRR |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl 2-methylhex-3-yl 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/c1-5-7-12-22-17(20)14-10-8-11-15(19-14)18(21)23-16(9-6-2)13(3)4/h8,10-11,13,16H,5-7,9,12H2,1-4H3 |
| InChIKey | RJJHLVIZVIPQPT-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CCCC(C(C)C)OC(C=1N=C(C(OCCCC)=O)C=CC1)=O |