| SpectraBase Compound ID | EhWAGsSM8dy |
|---|---|
| InChI | InChI=1S/C16H17NO4/c1-10-12(16(18)21-4)6-7-14(17-10)13-9-11(19-2)5-8-15(13)20-3/h5-9H,1-4H3 |
| InChIKey | CZYZXHUCRVSDAP-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 | JZT5yvjlUx8 |
|---|---|
| Name | Methyl 2-methyl-6-(2,5-dimethoxyphenyl)nicotinate |
| 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/c1-10-12(16(18)21-4)6-7-14(17-10)13-9-11(19-2)5-8-15(13)20-3/h5-9H,1-4H3 |
| InChIKey | CZYZXHUCRVSDAP-UHFFFAOYSA-N |
| SMILES | C1(=C(N=C(C=2C(=CC=C(C2)OC)OC)C=C1)C)C(=O)OC |