| SpectraBase Compound ID | 2mMjohg9GJl |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-4-6-11-21-16(19)14-9-7-10-15(18-14)17(20)22-12-13(3)8-5-2/h7,9-10,13H,4-6,8,11-12H2,1-3H3 |
| InChIKey | PMZMKDPPYLOAAK-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 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 | Dfu3RZaI8Os |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-4-6-11-21-16(19)14-9-7-10-15(18-14)17(20)22-12-13(3)8-5-2/h7,9-10,13H,4-6,8,11-12H2,1-3H3 |
| InChIKey | PMZMKDPPYLOAAK-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CCCCOC(C=1N=C(C(OCC(CCC)C)=O)C=CC1)=O |