| SpectraBase Compound ID | 5XwMNtwgT7P |
|---|---|
| InChI | InChI=1S/C14H19NO4/c1-9(2)8-18-13(16)11-6-5-7-12(15-11)14(17)19-10(3)4/h5-7,9-10H,8H2,1-4H3 |
| InChIKey | ZOUBBDRNLQGAHW-UHFFFAOYSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C14H19NO4 |
| Exact Mass | 265.131408 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 | CSBGJ6gqqgi |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.131408092 u |
| Formula | C14H19NO4 |
| InChI | InChI=1S/C14H19NO4/c1-9(2)8-18-13(16)11-6-5-7-12(15-11)14(17)19-10(3)4/h5-7,9-10H,8H2,1-4H3 |
| InChIKey | ZOUBBDRNLQGAHW-UHFFFAOYSA-N |
| Molecular Weight | 265.309 g/mol |
| SMILES | CC(C)OC(C1=NC(C(OCC(C)C)=O)=CC=C1)=O |