| SpectraBase Compound ID | SAFgrxr0wF |
|---|---|
| InChI | InChI=1S/C16H22O6/c1-6-10(2)9-21-16(18)12-7-13(19-4)15(22-11(3)17)14(8-12)20-5/h7-8,10H,6,9H2,1-5H3 |
| InChIKey | LCFPXXKUPJODGW-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C16H22O6 |
| Exact Mass | 310.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FkAWZyKJWZ |
|---|---|
| Name | Acetyl syringic acid, 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.141638422 u |
| Formula | C16H22O6 |
| InChI | InChI=1S/C16H22O6/c1-6-10(2)9-21-16(18)12-7-13(19-4)15(22-11(3)17)14(8-12)20-5/h7-8,10H,6,9H2,1-5H3 |
| InChIKey | LCFPXXKUPJODGW-UHFFFAOYSA-N |
| Molecular Weight | 310.346 g/mol |
| SMILES | C1(=C(C(=CC(=C1)C(OCC(CC)C)=O)OC)OC(C)=O)OC |