| SpectraBase Spectrum ID |
CqZUAvuKIqH |
| Name |
Semilicoisoflavone B, 3me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.141638422 u |
| Formula |
C23H22O6 |
| InChI |
InChI=1S/C23H22O6/c1-23(2)7-6-13-8-14(9-19(27-5)22(13)29-23)16-12-28-18-11-15(25-3)10-17(26-4)20(18)21(16)24/h6-12H,1-5H3 |
| InChIKey |
BNENRARHYMWMRO-UHFFFAOYSA-N |
| Molecular Weight |
394.423 g/mol |
| SMILES |
COC1=C2C(=O)C(=COC2=CC(OC)=C1)C=1C=C2C=CC(C)(C)OC2=C(OC)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814039 |
