| SpectraBase Compound ID | FjYF61dVX4n |
|---|---|
| InChI | InChI=1S/C14H16O6/c1-9(15)20-14-11(17-2)7-10(8-12(14)18-3)5-6-13(16)19-4/h5-8H,1-4H3/b6-5+ |
| InChIKey | QKKCBPMZPSIMIM-AATRIKPKSA-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 | JyVGwwpjeuA |
|---|---|
| Name | o-Acetylsinapic 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/c1-9(15)20-14-11(17-2)7-10(8-12(14)18-3)5-6-13(16)19-4/h5-8H,1-4H3/b6-5+ |
| InChIKey | QKKCBPMZPSIMIM-AATRIKPKSA-N |
| SMILES | C(\C=C\C1=CC(OC)=C(OC(=O)C)C(=C1)OC)(=O)OC |