| SpectraBase Compound ID | D25MW5GkaVU |
|---|---|
| InChI | InChI=1S/C15H16O6/c1-4-19-15(18)8-6-12-5-7-13(20-10(2)16)14(9-12)21-11(3)17/h5-9H,4H2,1-3H3/b8-6+ |
| InChIKey | YCFCYHXLNGQWAJ-SOFGYWHQSA-N |
| Mol Weight | 292.29 g/mol |
| Molecular Formula | C15H16O6 |
| Exact Mass | 292.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J55GKkDQlfy |
|---|---|
| Name | Ethyl trans-caffeate, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.094688229 u |
| Formula | C15H16O6 |
| InChI | InChI=1S/C15H16O6/c1-4-19-15(18)8-6-12-5-7-13(20-10(2)16)14(9-12)21-11(3)17/h5-9H,4H2,1-3H3/b8-6+ |
| InChIKey | YCFCYHXLNGQWAJ-SOFGYWHQSA-N |
| Molecular Weight | 292.287 g/mol |
| SMILES | C(\C=C\C1=CC(OC(C)=O)=C(C=C1)OC(C)=O)(OCC)=O |