| SpectraBase Compound ID | 9dNj0frtkg2 |
|---|---|
| InChI | InChI=1S/C18H19NO4/c1-3-4-12-22-17(20)14-9-7-10-15(19-14)18(21)23-16-11-6-5-8-13(16)2/h5-11H,3-4,12H2,1-2H3 |
| InChIKey | GAXPXEIGOQHTLU-UHFFFAOYSA-N |
| Mol Weight | 313.35 g/mol |
| Molecular Formula | C18H19NO4 |
| Exact Mass | 313.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oOhbl557S9 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.131408092 u |
| Formula | C18H19NO4 |
| InChI | InChI=1S/C18H19NO4/c1-3-4-12-22-17(20)14-9-7-10-15(19-14)18(21)23-16-11-6-5-8-13(16)2/h5-11H,3-4,12H2,1-2H3 |
| InChIKey | GAXPXEIGOQHTLU-UHFFFAOYSA-N |
| Molecular Weight | 313.353 g/mol |
| SMILES | C1=CC=C(C(=C1)OC(C1=NC(C(OCCCC)=O)=CC=C1)=O)C |