| SpectraBase Spectrum ID |
99aVEQtweWT |
| Name |
2,4'-Dimethoxy-2'-hydroxychalcone, 2-methylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.146723803 u |
| Formula |
C21H22O5 |
| InChI |
InChI=1S/C21H22O5/c1-14(2)21(23)26-20-13-16(24-3)10-11-17(20)18(22)12-9-15-7-5-6-8-19(15)25-4/h5-14H,1-4H3/b12-9+ |
| InChIKey |
IBVNWUXJXQGHEO-FMIVXFBMSA-N |
| Molecular Weight |
354.402 g/mol |
| SMILES |
C1(=CC=C(C=C1OC(C(C)C)=O)OC)C(\C=C\C1=CC=CC=C1OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857151 |
