| SpectraBase Spectrum ID |
3aREb9nb2vR |
| Name |
2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, 2-methylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.131073739 u |
| Formula |
C21H20O5 |
| InChI |
InChI=1S/C21H20O5/c1-13(2)21(23)26-18-6-4-5-14(3)20(18)16(22)9-7-15-8-10-17-19(11-15)25-12-24-17/h4-11,13H,12H2,1-3H3/b9-7+ |
| InChIKey |
KPOAAVVHKZPXKL-VQHVLOKHSA-N |
| Molecular Weight |
352.386 g/mol |
| SMILES |
C1(=C(C=CC=C1OC(C(C)C)=O)C)C(\C=C\C1=CC2=C(C=C1)OCO2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911829 |
