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2'-(Acetyl)oxy-6'-methyl-3,4-methylenedioxychalcone

View entire compound with spectra: 1 NMR, and 1 FTIR

2'-(Acetyl)oxy-6'-methyl-3,4-methylenedioxychalcone
SpectraBase Compound ID FtNUujSHyqi
InChI InChI=1S/C19H16O5/c1-12-4-3-5-17(24-13(2)20)19(12)15(21)8-6-14-7-9-16-18(10-14)23-11-22-16/h3-10H,11H2,1-2H3/b8-6+
InChIKey WXGFOBUJBJXIKU-SOFGYWHQSA-N
Mol Weight 324.33 g/mol
Molecular Formula C19H16O5
Exact Mass 324.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1yFQgDWfKCL
Name 2'-(Acetyl)oxy-6'-methyl-3,4-methylenedioxychalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.099773610 u
Formula C19H16O5
InChI InChI=1S/C19H16O5/c1-12-4-3-5-17(24-13(2)20)19(12)15(21)8-6-14-7-9-16-18(10-14)23-11-22-16/h3-10H,11H2,1-2H3/b8-6+
InChIKey WXGFOBUJBJXIKU-SOFGYWHQSA-N
Molecular Weight 324.332 g/mol
SMILES C1(=C(C=CC=C1OC(C)=O)C)C(\C=C\C1=CC2=C(C=C1)OCO2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922514