SpectraBase Compound ID | Fpt0KhagnzI |
---|---|
InChI | InChI=1S/C16H23NO4/c1-4-6-10-20-15(18)13-8-7-9-14(17-13)16(19)21-11-12(3)5-2/h7-9,12H,4-6,10-11H2,1-3H3 |
InChIKey | PAATVMUOMBFSQT-UHFFFAOYSA-N |
Mol Weight | 293.36 g/mol |
Molecular Formula | C16H23NO4 |
Exact Mass | 293.162708 g/mol |
SpectraBase Spectrum ID | 2VpCEXqqYVv |
---|---|
Name | 2,6-Pyridinedicarboxylic acid, butyl 2-methylbutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 293.162708221 u |
Formula | C16H23NO4 |
InChI | InChI=1S/C16H23NO4/c1-4-6-10-20-15(18)13-8-7-9-14(17-13)16(19)21-11-12(3)5-2/h7-9,12H,4-6,10-11H2,1-3H3 |
InChIKey | PAATVMUOMBFSQT-UHFFFAOYSA-N |
SMILES | CCCCOC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O |