| SpectraBase Spectrum ID |
HovekMsq0ge |
| Name |
5,7-Diacetoxy-3-(3,4-diacetoxyphenyl)-4H-chromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.089996770 u |
| Formula |
C23H18O10 |
| InChI |
InChI=1S/C23H18O10/c1-11(24)30-16-8-20-22(21(9-16)33-14(4)27)23(28)17(10-29-20)15-5-6-18(31-12(2)25)19(7-15)32-13(3)26/h5-10H,1-4H3 |
| InChIKey |
CHWGKGZURDVKPV-UHFFFAOYSA-N |
| Molecular Weight |
454.387 g/mol |
| SMILES |
C12=C(C=C(C=C2OC(=O)C)OC(=O)C)OC=C(C1=O)C1=CC(=C(C=C1)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958016 |
