| SpectraBase Compound ID | HfkQ3cfBj8w |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-22-12-5-2-11(3-6-12)4-7-13-8-15(19)14-9-16(20)17(21)10-18(14)23-13/h2-3,5-6,8-10,20-21H,4,7H2,1H3 |
| InChIKey | XDRRQGAOGRSPCD-UHFFFAOYSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C18H16O5 |
| Exact Mass | 312.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 36bqfHkifmh |
|---|---|
| Name | 6,7-Dihydroxy-2-(4-methoxyphenethyl)-4H-chromen-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.099773610 u |
| Formula | C18H16O5 |
| InChI | InChI=1S/C18H16O5/c1-22-12-5-2-11(3-6-12)4-7-13-8-15(19)14-9-16(20)17(21)10-18(14)23-13/h2-3,5-6,8-10,20-21H,4,7H2,1H3 |
| InChIKey | XDRRQGAOGRSPCD-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC2=C(C1)OC(=CC2=O)CCC1=CC=C(OC)C=C1)O)O |