| SpectraBase Compound ID | 7XmVTMaB50h |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-4-7-10-14(9-5-2)23-18(21)16-12-8-11-15(19-16)17(20)22-13-6-3/h8,11-12,14H,4-7,9-10,13H2,1-3H3 |
| InChIKey | XEKQAMDKWNJZRL-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 | BpAiiovWqxA |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 4-octyl propyl 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/c1-4-7-10-14(9-5-2)23-18(21)16-12-8-11-15(19-16)17(20)22-13-6-3/h8,11-12,14H,4-7,9-10,13H2,1-3H3 |
| InChIKey | XEKQAMDKWNJZRL-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CCCC(OC(C1=NC(=CC=C1)C(OCCC)=O)=O)CCCC |