| SpectraBase Spectrum ID |
HQZ1a7BiBgS |
| Name |
3,7-Diacetoxy-2-(p-acetoxyphenyl)-4H-chromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.084517467 u |
| Formula |
C21H16O8 |
| InChI |
InChI=1S/C21H16O8/c1-11(22)26-15-6-4-14(5-7-15)20-21(28-13(3)24)19(25)17-9-8-16(27-12(2)23)10-18(17)29-20/h4-10H,1-3H3 |
| InChIKey |
CRAONWIWWPWXQI-UHFFFAOYSA-N |
| Molecular Weight |
396.351 g/mol |
| SMILES |
C12=C(OC(=C(C2=O)OC(=O)C)C2=CC=C(C=C2)OC(C)=O)C=C(C=C1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843133 |
