| SpectraBase Spectrum ID |
GodDj4qDjD2 |
| Name |
7-Acetoxy-2-(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 |
396.084517467 u |
| Formula |
C21H16O8 |
| InChI |
InChI=1S/C21H16O8/c1-11(22)26-15-5-6-16-17(25)10-19(29-20(16)9-15)14-4-7-18(27-12(2)23)21(8-14)28-13(3)24/h4-10H,1-3H3 |
| InChIKey |
SKBPGKCEDAEJQS-UHFFFAOYSA-N |
| Molecular Weight |
396.351 g/mol |
| SMILES |
C12=C(OC(=CC2=O)C2=CC=C(C(=C2)OC(=O)C)OC(C)=O)C=C(C=C1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825038 |
