| SpectraBase Spectrum ID |
J4W36Hi8k2o |
| Name |
5,7,4'-Triacetoxy-8-(3,3-dimethylallyl)isoflavone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.147117725 u |
| Formula |
C26H24O8 |
| InChI |
InChI=1S/C26H24O8/c1-14(2)6-11-20-22(33-16(4)28)12-23(34-17(5)29)24-25(30)21(13-31-26(20)24)18-7-9-19(10-8-18)32-15(3)27/h6-10,12-13H,11H2,1-5H3 |
| InChIKey |
ZTCONCLMNIRFHY-UHFFFAOYSA-N |
| Molecular Weight |
464.470 g/mol |
| SMILES |
C12=C(C(=CC(=C2CC=C(C)C)OC(=O)C)OC(C)=O)C(C(=CO1)C1=CC=C(C=C1)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902696 |
