| SpectraBase Spectrum ID |
5nGY0bcDFei |
| Name |
2'-(Acetyl)oxy-2,4,5,5'-tetramethoxychalcone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.136553041 u |
| Formula |
C21H22O7 |
| InChI |
InChI=1S/C21H22O7/c1-13(22)28-18-9-7-15(24-2)11-16(18)17(23)8-6-14-10-20(26-4)21(27-5)12-19(14)25-3/h6-12H,1-5H3/b8-6+ |
| InChIKey |
FHJGOPPUKIYDMH-SOFGYWHQSA-N |
| Molecular Weight |
386.400 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(C)=O)OC)C(\C=C\C1=CC(=C(C=C1OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928519 |
