| SpectraBase Spectrum ID |
73wbyefQBQa |
| Name |
5,6,7-Triacetoxy-3-(4'-acetoxyphenyl)-4H-1-benzopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.089996770 u |
| Formula |
C23H18O10 |
| InChI |
InChI=1S/C23H18O10/c1-11(24)30-16-7-5-15(6-8-16)17-10-29-18-9-19(31-12(2)25)22(32-13(3)26)23(33-14(4)27)20(18)21(17)28/h5-10H,1-4H3 |
| InChIKey |
UJLRWPHTVWNGCX-UHFFFAOYSA-N |
| Molecular Weight |
454.387 g/mol |
| SMILES |
C=12OC=C(C(C2=C(C(OC(=O)C)=C(C1)OC(=O)C)OC(=O)C)=O)C=1C=CC(OC(=O)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935308 |
