| SpectraBase Spectrum ID |
FjnfKCk8XWr |
| Name |
2'-(Acetyl)oxy-2,4,5-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)10-9-14-11-19(24-3)20(25-4)12-18(14)23-2/h5-12H,1-4H3/b10-9+ |
| InChIKey |
SJPPQWQENYJFDK-MDZDMXLPSA-N |
| Molecular Weight |
356.374 g/mol |
| SMILES |
C1(=CC=CC=C1OC(C)=O)C(\C=C\C1=CC(=C(C=C1OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960295 |
