| SpectraBase Compound ID | CpbrFR44Fko |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-12(19)21-18-11-16(13-6-4-3-5-7-13)22-17-10-14(20-2)8-9-15(17)18/h3-10,16,18H,11H2,1-2H3 |
| InChIKey | RJUZLULBRKENPV-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BayrELMIqRV |
|---|---|
| Name | 4-Acethoxy-7-methoxyflavan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-12(19)21-18-11-16(13-6-4-3-5-7-13)22-17-10-14(20-2)8-9-15(17)18/h3-10,16,18H,11H2,1-2H3 |
| InChIKey | RJUZLULBRKENPV-UHFFFAOYSA-N |
| SMILES | C(C)(=O)OC1CC(OC=2C1=CC=C(C2)OC)C1=CC=CC=C1 |