| SpectraBase Spectrum ID |
1hHXDSKqceN |
| Name |
Licochalcone B triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954854 |
