| SpectraBase Spectrum ID |
IUXiIKfH48s |
| Name |
Scandenal;3'-formyl-4',5-dihydroxy-2'',2''-dimethyl-chromeno-[6,7:5'',6'']-isoflavone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.094688229 u |
| Formula |
C21H16O6 |
| InChI |
InChI=1S/C21H16O6/c1-21(2)6-5-13-16(27-21)8-17-18(19(13)24)20(25)14(10-26-17)11-3-4-15(23)12(7-11)9-22/h3-10,23-24H,1-2H3 |
| InChIKey |
IPYCUHYELBKADC-UHFFFAOYSA-N |
| Molecular Weight |
364.353 g/mol |
| SMILES |
C1(=O)C(=COC=2C1=C(O)C1=C(C2)OC(C=C1)(C)C)C1=CC(=C(O)C=C1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957897 |
![Scandenal;3'-formyl-4',5-dihydroxy-2'',2''-dimethyl-chromeno-[6,7:5'',6'']-isoflavone](/api/spectrum/IUXiIKfH48s/structure.png?h=300&w=458 "Scandenal;3'-formyl-4',5-dihydroxy-2'',2''-dimethyl-chromeno-[6,7:5'',6'']-isoflavone")
