| SpectraBase Compound ID | 2yRfbZwcJOe |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-6-12(4)13(5)22-17(20)15-9-7-8-14(18-15)16(19)21-10-11(2)3/h7-9,11-13H,6,10H2,1-5H3 |
| InChIKey | OWTPAMQFBONEQO-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 | 2v4shXnRs5J |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl 3-methylpent-2-yl 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/c1-6-12(4)13(5)22-17(20)15-9-7-8-14(18-15)16(19)21-10-11(2)3/h7-9,11-13H,6,10H2,1-5H3 |
| InChIKey | OWTPAMQFBONEQO-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CC(OC(C1=NC(C(OCC(C)C)=O)=CC=C1)=O)C(CC)C |