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3,4-Dimethoxy-2'-(acetyl)oxy-5'-methylchalcone
SpectraBase Compound ID 7WqGqtFI8AM
InChI InChI=1S/C20H20O5/c1-13-5-9-18(25-14(2)21)16(11-13)17(22)8-6-15-7-10-19(23-3)20(12-15)24-4/h5-12H,1-4H3/b8-6+
InChIKey JKKFQWBTNMWFFK-SOFGYWHQSA-N
Mol Weight 340.38 g/mol
Molecular Formula C20H20O5
Exact Mass 340.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 14FDcWxXnez
Name 3,4-Dimethoxy-2'-(acetyl)oxy-5'-methylchalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.131073739 u
Formula C20H20O5
InChI InChI=1S/C20H20O5/c1-13-5-9-18(25-14(2)21)16(11-13)17(22)8-6-15-7-10-19(23-3)20(12-15)24-4/h5-12H,1-4H3/b8-6+
InChIKey JKKFQWBTNMWFFK-SOFGYWHQSA-N
Molecular Weight 340.375 g/mol
SMILES C1(=C(C=CC(=C1)C)OC(C)=O)C(\C=C\C=1C=CC(OC)=C(C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93229