| SpectraBase Spectrum ID |
IuvQFntFAEs |
| Name |
5-Acetoxy-3-(3,4-diacetoxyphenyl)-7-methoxy-4H-chromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.095082151 u |
| Formula |
C22H18O9 |
| InChI |
InChI=1S/C22H18O9/c1-11(23)29-17-6-5-14(7-18(17)30-12(2)24)16-10-28-19-8-15(27-4)9-20(31-13(3)25)21(19)22(16)26/h5-10H,1-4H3 |
| InChIKey |
NHURGQFBJLKYMQ-UHFFFAOYSA-N |
| Molecular Weight |
426.377 g/mol |
| SMILES |
C12=C(OC=C(C2=O)C2=CC=C(C(=C2)OC(C)=O)OC(=O)C)C=C(C=C1OC(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953194 |
