| SpectraBase Spectrum ID |
3neuvK4x2NX |
| Name |
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.131467660 u |
| Formula |
C23H22O8 |
| InChI |
InChI=1S/C23H22O8/c1-11-21(29-14(4)25)12(2)23-20(22(11)30-15(5)26)18(27)10-19(31-23)16-6-8-17(9-7-16)28-13(3)24/h6-9,19H,10H2,1-5H3 |
| InChIKey |
OKTNSOVOJLOBCI-UHFFFAOYSA-N |
| Molecular Weight |
426.421 g/mol |
| SMILES |
C1(=C(C(=C2OC(CC(C2=C1OC(=O)C)=O)C1=CC=C(C=C1)OC(=O)C)C)OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958285 |
