| SpectraBase Compound ID | BOuYUT3Vc8E |
|---|---|
| InChI | InChI=1S/C16H17NO4/c1-10-4-6-11(7-5-10)14-12(15(18)20-2)8-17-9-13(14)16(19)21-3/h4-9,14,17H,1-3H3 |
| InChIKey | MISZQNZAFAWTLC-UHFFFAOYSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUFRTdNk3Ey |
|---|---|
| Name | Dimethyl 4-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.115758027 u |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c1-10-4-6-11(7-5-10)14-12(15(18)20-2)8-17-9-13(14)16(19)21-3/h4-9,14,17H,1-3H3 |
| InChIKey | MISZQNZAFAWTLC-UHFFFAOYSA-N |
| SMILES | C=1NC=C(C(C1C(=O)OC)C1=CC=C(C=C1)C)C(=O)OC |