| SpectraBase Spectrum ID |
AFpxvTbcsh0 |
| Name |
Xanthohumol, trimethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.193673997 u |
| Formula |
C24H28O5 |
| InChI |
InChI=1S/C24H28O5/c1-16(2)7-13-19-21(27-4)15-22(28-5)23(24(19)29-6)20(25)14-10-17-8-11-18(26-3)12-9-17/h7-12,14-15H,13H2,1-6H3/b14-10+ |
| InChIKey |
GGNVSANPVOEGII-GXDHUFHOSA-N |
| Molecular Weight |
396.483 g/mol |
| SMILES |
C(\C=C\C1=CC=C(C=C1)OC)(=O)C1=C(OC)C=C(OC)C(=C1OC)CC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94883 |
