| SpectraBase Compound ID | Ckua4kAxD9b |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-4-7-11-15(10-6-3)24-19(22)17-13-9-12-16(20-17)18(21)23-14-8-5-2/h9,12-13,15H,4-8,10-11,14H2,1-3H3 |
| InChIKey | GKELPWPCASUSSF-UHFFFAOYSA-N |
| Mol Weight | 335.44 g/mol |
| Molecular Formula | C19H29NO4 |
| Exact Mass | 335.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FYFVrmEnusR |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl 4-octyl 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/c1-4-7-11-15(10-6-3)24-19(22)17-13-9-12-16(20-17)18(21)23-14-8-5-2/h9,12-13,15H,4-8,10-11,14H2,1-3H3 |
| InChIKey | GKELPWPCASUSSF-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | CCCC(OC(C1=NC(C(OCCCC)=O)=CC=C1)=O)CCCC |