| SpectraBase Compound ID | 84znnZJ9r9I |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-5-6-7-8-12-22-16(20)14-10-9-11-15(19-14)17(21)23-13-18(2,3)4/h9-11H,5-8,12-13H2,1-4H3 |
| InChIKey | OTXNNYCPQJCWRF-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 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 | A0YGPtKuBu9 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, hexyl neopentyl 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/c1-5-6-7-8-12-22-16(20)14-10-9-11-15(19-14)17(21)23-13-18(2,3)4/h9-11H,5-8,12-13H2,1-4H3 |
| InChIKey | OTXNNYCPQJCWRF-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CCCCCCOC(C=1N=C(C(OCC(C)(C)C)=O)C=CC1)=O |