| SpectraBase Spectrum ID |
E0f2d36Frr3 |
| Name |
3,7-Diacetoxy-2-(4-acetoxy-3-methoxyphenyl)-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)28-15-6-7-16-18(10-15)31-21(22(20(16)26)30-13(3)25)14-5-8-17(29-12(2)24)19(9-14)27-4/h5-10H,1-4H3 |
| InChIKey |
NTFUXFDDLLXRPU-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=C(C=C1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950249 |
