| SpectraBase Compound ID | 7Lk0ONahsEX |
|---|---|
| InChI | InChI=1S/C16H22O6/c1-5-6-7-8-21-16(18)12-9-13(19-3)15(22-11(2)17)14(10-12)20-4/h9-10H,5-8H2,1-4H3 |
| InChIKey | BYTFPVDFBGMBME-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 | 1WASeOJtLhh |
|---|---|
| Name | Acetyl syringic acid, N-pentyl 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/c1-5-6-7-8-21-16(18)12-9-13(19-3)15(22-11(2)17)14(10-12)20-4/h9-10H,5-8H2,1-4H3 |
| InChIKey | BYTFPVDFBGMBME-UHFFFAOYSA-N |
| Molecular Weight | 310.346 g/mol |
| SMILES | C1(=C(C(=CC(=C1)C(OCCCCC)=O)OC)OC(C)=O)OC |