| SpectraBase Compound ID | AwPPiTFTftu |
|---|---|
| InChI | InChI=1S/C22H20O8/c1-13(23)28-18-9-5-16(6-10-18)19(26)11-7-17-8-12-20(29-14(2)24)22(21(17)27-4)30-15(3)25/h5-12H,1-4H3/b11-7+ |
| InChIKey | NDSCNKXGJQSEFG-YRNVUSSQSA-N |
| Mol Weight | 412.39 g/mol |
| Molecular Formula | C22H20O8 |
| Exact Mass | 412.115818 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 | 83gGoxfvYJF |
|---|---|
| Name | Licochalcone B triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.115817596 u |
| Formula | C22H20O8 |
| InChI | InChI=1S/C22H20O8/c1-13(23)28-18-9-5-16(6-10-18)19(26)11-7-17-8-12-20(29-14(2)24)22(21(17)27-4)30-15(3)25/h5-12H,1-4H3/b11-7+ |
| InChIKey | NDSCNKXGJQSEFG-YRNVUSSQSA-N |
| Molecular Weight | 412.394 g/mol |
| SMILES | C1=C(C=CC(=C1)C(\C=C\C1=CC=C(C(=C1OC)OC(=O)C)OC(=O)C)=O)OC(=O)C |