| SpectraBase Compound ID | 3iWbAnfeRpa |
|---|---|
| InChI | InChI=1S/C17H16O5/c1-20-14-6-3-10(7-17(14)21-2)15-9-13(19)12-5-4-11(18)8-16(12)22-15/h3-8,15,18H,9H2,1-2H3 |
| InChIKey | KLCYWRUDTJXBQK-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C17H16O5 |
| Exact Mass | 300.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CAp6YW2M4P6 |
|---|---|
| Name | 2-(3,4-Dimethoxyphenyl)-7-hydroxy-4-chromanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.099773610 u |
| Formula | C17H16O5 |
| InChI | InChI=1S/C17H16O5/c1-20-14-6-3-10(7-17(14)21-2)15-9-13(19)12-5-4-11(18)8-16(12)22-15/h3-8,15,18H,9H2,1-2H3 |
| InChIKey | KLCYWRUDTJXBQK-UHFFFAOYSA-N |
| SMILES | C12=C(OC(CC2=O)C2=CC(=C(C=C2)OC)OC)C=C(C=C1)O |