| SpectraBase Spectrum ID |
2ryiC0YdOLZ |
| Name |
2'-(Acetyl)oxy-3,4,4',6'-tetramethoxychalcone (isomer 2) |
| 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)28-20-12-15(24-2)11-19(27-5)21(20)16(23)8-6-14-7-9-17(25-3)18(10-14)26-4/h6-12H,1-5H3/b8-6+ |
| InChIKey |
OZMHSFMPDFXNBR-SOFGYWHQSA-N |
| Molecular Weight |
386.400 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OC(C)=O)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919576 |
