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4-[4-Methoxyphenyl]-2,4-dioxobutyric acid

View entire compound with spectra: 1 FTIR

4-[4-Methoxyphenyl]-2,4-dioxobutyric acid
SpectraBase Compound ID LF6gJ9hTSl8
InChI InChI=1S/C11H10O5/c1-16-8-4-2-7(3-5-8)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey QTDIUFUNHQSHTP-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C11H10O5
Exact Mass 222.052823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JdpvpUlqUOM
Name 4-[4-Methoxyphenyl]-2,4-dioxobutyric acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.052823417 u
Formula C11H10O5
InChI InChI=1S/C11H10O5/c1-16-8-4-2-7(3-5-8)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey QTDIUFUNHQSHTP-UHFFFAOYSA-N
Molecular Weight 222.196 g/mol
SMILES C(=O)(CC(=O)C(O)=O)C1=CC=C(OC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827903