| SpectraBase Compound ID | EpMJZoRu7Gx |
|---|---|
| InChI | InChI=1S/C13H16O6/c1-5-18-13(15)9-6-10(16-3)12(19-8(2)14)11(7-9)17-4/h6-7H,5H2,1-4H3 |
| InChIKey | NUDWLJKJIXIQIZ-UHFFFAOYSA-N |
| Mol Weight | 268.26 g/mol |
| Molecular Formula | C13H16O6 |
| Exact Mass | 268.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPlsdr5ijCr |
|---|---|
| Name | Acetyl syringic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.094688229 u |
| Formula | C13H16O6 |
| InChI | InChI=1S/C13H16O6/c1-5-18-13(15)9-6-10(16-3)12(19-8(2)14)11(7-9)17-4/h6-7H,5H2,1-4H3 |
| InChIKey | NUDWLJKJIXIQIZ-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=CC(=C1)C(OCC)=O)OC)OC(C)=O)OC |