| SpectraBase Compound ID | LCx3PJ7TGk2 |
|---|---|
| InChI | InChI=1S/C18H16O6/c1-10(19)23-12-5-3-11(4-6-12)16-9-15(21)18-14(20)7-13(22-2)8-17(18)24-16/h3-8,16,20H,9H2,1-2H3 |
| InChIKey | WQFHVLPBTSOPIT-UHFFFAOYSA-N |
| Mol Weight | 328.32 g/mol |
| Molecular Formula | C18H16O6 |
| Exact Mass | 328.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JIQnJ6Ls8Nw |
|---|---|
| Name | 5,4'-Dihydroxy-7-methoxyflavanone, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.094688229 u |
| Formula | C18H16O6 |
| InChI | InChI=1S/C18H16O6/c1-10(19)23-12-5-3-11(4-6-12)16-9-15(21)18-14(20)7-13(22-2)8-17(18)24-16/h3-8,16,20H,9H2,1-2H3 |
| InChIKey | WQFHVLPBTSOPIT-UHFFFAOYSA-N |
| Molecular Weight | 328.320 g/mol |
| SMILES | C1(OC=2C=C(C=C(C2C(C1)=O)O)OC)C1=CC=C(OC(C)=O)C=C1 |