| SpectraBase Compound ID | HtaXs2peNt3 |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-5-10-20-15(18)13-8-7-9-14(17-13)16(19)21-12(4)11(3)6-2/h7-9,11-12H,5-6,10H2,1-4H3 |
| InChIKey | HLEAQWBCUIGZNP-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | l8AoIdtHUg |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 3-methylpent-2-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-5-10-20-15(18)13-8-7-9-14(17-13)16(19)21-12(4)11(3)6-2/h7-9,11-12H,5-6,10H2,1-4H3 |
| InChIKey | HLEAQWBCUIGZNP-UHFFFAOYSA-N |
| SMILES | CC(OC(C1=NC(=CC=C1)C(OCCC)=O)=O)C(CC)C |