| SpectraBase Compound ID | 52KodJgHDZ |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-5-7-8-9-13-23-18(21)16-11-10-12-17(20-16)19(22)24-15(4)14(3)6-2/h10-12,14-15H,5-9,13H2,1-4H3 |
| InChIKey | XAQHODJUEAZNBR-UHFFFAOYSA-N |
| Mol Weight | 335.44 g/mol |
| Molecular Formula | C19H29NO4 |
| Exact Mass | 335.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMZwBXarRZp |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, hexyl 3-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.209658414 u |
| Formula | C19H29NO4 |
| InChI | InChI=1S/C19H29NO4/c1-5-7-8-9-13-23-18(21)16-11-10-12-17(20-16)19(22)24-15(4)14(3)6-2/h10-12,14-15H,5-9,13H2,1-4H3 |
| InChIKey | XAQHODJUEAZNBR-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | CC(OC(C1=NC(C(OCCCCCC)=O)=CC=C1)=O)C(CC)C |