| SpectraBase Spectrum ID |
2YZPNI3Io9H |
| Name |
2'-(Acetyl)oxy-3,4,5-trimethoxychalcone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.125988358 u |
| Formula |
C20H20O6 |
| InChI |
InChI=1S/C20H20O6/c1-13(21)26-17-8-6-5-7-15(17)16(22)10-9-14-11-18(23-2)20(25-4)19(12-14)24-3/h5-12H,1-4H3/b10-9+ |
| InChIKey |
RDHOTRSCGCJBCK-MDZDMXLPSA-N |
| Molecular Weight |
356.374 g/mol |
| SMILES |
C1(=C(C=CC=C1)OC(C)=O)C(\C=C\C=1C=C(C(OC)=C(OC)C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972195 |
