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3-(3,4-Dimethoxyphenyl)-6,8-dimethoxy-4-methyl-1H-isochromen-1-one
SpectraBase Compound ID BtMqHziJ1OR
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
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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