SpectraBase Spectrum ID |
4ZHCPArMbt9 |
Name |
3-(3,4-Dimethoxyphenyl)-6,8-dimethoxy-4-methyl-1H-isochromen-1-one |
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/c1-11-14-9-13(22-2)10-17(25-5)18(14)20(21)26-19(11)12-6-7-15(23-3)16(8-12)24-4/h6-10H,1-5H3 |
InChIKey |
AIOZEMBRZVLSIK-UHFFFAOYSA-N |
Molecular Weight |
356.374 g/mol |
SMILES |
C=1(OC(C=2C(=CC(=CC2C1C)OC)OC)=O)C1=CC=C(C(=C1)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955826 |