| SpectraBase Compound ID | 5oRYQMsrrRr |
|---|---|
| InChI | InChI=1S/C15H20O6/c1-6-9(2)20-15(17)11-7-12(18-4)14(21-10(3)16)13(8-11)19-5/h7-9H,6H2,1-5H3 |
| InChIKey | FCQZESWGLZVBQS-UHFFFAOYSA-N |
| Mol Weight | 296.32 g/mol |
| Molecular Formula | C15H20O6 |
| Exact Mass | 296.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2P6pjWRTUht |
|---|---|
| Name | Acetyl syringic acid, 2-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.125988358 u |
| Formula | C15H20O6 |
| InChI | InChI=1S/C15H20O6/c1-6-9(2)20-15(17)11-7-12(18-4)14(21-10(3)16)13(8-11)19-5/h7-9H,6H2,1-5H3 |
| InChIKey | FCQZESWGLZVBQS-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=CC(=C1)C(OC(CC)C)=O)OC)OC(C)=O)OC |