| SpectraBase Spectrum ID |
DWolXQtqAqY |
| Name |
4'-Hydroxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.131073739 u |
| Formula |
C19H20O5 |
| InChI |
InChI=1S/C19H20O5/c1-12-9-14(20)6-7-15(12)16(21)8-5-13-10-17(22-2)19(24-4)18(11-13)23-3/h5-11,20H,1-4H3/b8-5+ |
| InChIKey |
FMIPBTOQJZBODT-VMPITWQZSA-N |
| Molecular Weight |
328.364 g/mol |
| SMILES |
C1(=C(C=C(C=C1)O)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892669 |
