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7-Acetoxy-3-(3,4-methylenedioxyphenyl)-4H-chromen-4-one

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

7-Acetoxy-3-(3,4-methylenedioxyphenyl)-4H-chromen-4-one
SpectraBase Compound ID JGZRherJCnO
InChI InChI=1S/C18H12O6/c1-10(19)24-12-3-4-13-16(7-12)21-8-14(18(13)20)11-2-5-15-17(6-11)23-9-22-15/h2-8H,9H2,1H3
InChIKey GECGOSYEOUVXKB-UHFFFAOYSA-N
Mol Weight 324.29 g/mol
Molecular Formula C18H12O6
Exact Mass 324.063388 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AcMWAxx13yF
Name 7-Acetoxy-3-(3,4-methylenedioxyphenyl)-4H-chromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.063388100 u
Formula C18H12O6
InChI InChI=1S/C18H12O6/c1-10(19)24-12-3-4-13-16(7-12)21-8-14(18(13)20)11-2-5-15-17(6-11)23-9-22-15/h2-8H,9H2,1H3
InChIKey GECGOSYEOUVXKB-UHFFFAOYSA-N
Molecular Weight 324.288 g/mol
SMILES C12=C(OC=C(C2=O)C2=CC3=C(C=C2)OCO3)C=C(C=C1)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888334