| SpectraBase Compound ID | 2Y3e7YLYvbV |
|---|---|
| InChI | InChI=1S/C14H16O6/c1-4-19-14(16)20-12-9-10(5-7-11(12)17-2)6-8-13(15)18-3/h5-9H,4H2,1-3H3/b8-6+ |
| InChIKey | RYGINOKQJIMUNT-SOFGYWHQSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C14H16O6 |
| Exact Mass | 280.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6viCH2pOIA5 |
|---|---|
| Name | Trans-3-ethoxycarbonyloxy-4-methoxycinnamic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.094688229 u |
| Formula | C14H16O6 |
| InChI | InChI=1S/C14H16O6/c1-4-19-14(16)20-12-9-10(5-7-11(12)17-2)6-8-13(15)18-3/h5-9H,4H2,1-3H3/b8-6+ |
| InChIKey | RYGINOKQJIMUNT-SOFGYWHQSA-N |
| SMILES | C1=C(C=CC(=C1OC(OCC)=O)OC)\C=C\C(OC)=O |