| SpectraBase Compound ID | EmamgnjKVe0 |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-9(14)17-8-10(12(15)16-2)7-11-5-3-4-6-13-11/h3-7H,8H2,1-2H3/b10-7- |
| InChIKey | ROTHUUPTJGXHEI-YFHOEESVSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AecDP0GggrS |
|---|---|
| Name | 3-(2-Pyridyl)-2-methoxycarbonyl-2-propen-1-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.084457899 u |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-9(14)17-8-10(12(15)16-2)7-11-5-3-4-6-13-11/h3-7H,8H2,1-2H3/b10-7- |
| InChIKey | ROTHUUPTJGXHEI-YFHOEESVSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | C(\C(=C/C1=NC=CC=C1)COC(=O)C)(=O)OC |