| SpectraBase Spectrum ID |
DhL6xBgih9U |
| Name |
3-Acetoxy-2-(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)28-17-8-5-14(9-19(17)29-12(2)24)21-22(30-13(3)25)20(26)16-7-6-15(27-4)10-18(16)31-21/h5-10H,1-4H3 |
| InChIKey |
UHWJDEXVCAXCNW-UHFFFAOYSA-N |
| Molecular Weight |
426.377 g/mol |
| SMILES |
C12=C(OC(=C(C2=O)OC(=O)C)C2=CC(=C(C=C2)OC(C)=O)OC(C)=O)C=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912809 |
