| SpectraBase Compound ID | DXAHt6FasP2 |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-3-5-7-8-13-22-17(20)15-11-9-10-14(18-15)16(19)21-12-6-4-2/h9-11H,3-8,12-13H2,1-2H3 |
| InChIKey | PQZPVYCGDFLGNB-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dO3VoZwBoK |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-3-5-7-8-13-22-17(20)15-11-9-10-14(18-15)16(19)21-12-6-4-2/h9-11H,3-8,12-13H2,1-2H3 |
| InChIKey | PQZPVYCGDFLGNB-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CCCCOC(C=1N=C(C(OCCCCCC)=O)C=CC1)=O |