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4-(2,4-Dimethoxyphenyl)-2H-1-benzopyran-2-one
SpectraBase Compound ID 46aYObmv7Fo
InChI InChI=1S/C17H14O4/c1-19-11-7-8-13(16(9-11)20-2)14-10-17(18)21-15-6-4-3-5-12(14)15/h3-10H,1-2H3
InChIKey FEFPQGSHRMTBGQ-UHFFFAOYSA-N
Mol Weight 282.3 g/mol
Molecular Formula C17H14O4
Exact Mass 282.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JcWdqnHldkZ
Name 4-(2,4-Dimethoxyphenyl)-2H-1-benzopyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.089208927 u
Formula C17H14O4
InChI InChI=1S/C17H14O4/c1-19-11-7-8-13(16(9-11)20-2)14-10-17(18)21-15-6-4-3-5-12(14)15/h3-10H,1-2H3
InChIKey FEFPQGSHRMTBGQ-UHFFFAOYSA-N
SMILES C1(OC2=CC=CC=C2C(=C1)C1=C(OC)C=C(OC)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854474