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Diethylmalonic acid, monochloride, 2,6-dimethoxyphenyl ester

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Diethylmalonic acid, monochloride, 2,6-dimethoxyphenyl ester
SpectraBase Compound ID 2eMYrrIhRgD
InChI InChI=1S/C15H19ClO5/c1-5-15(6-2,13(16)17)14(18)21-12-10(19-3)8-7-9-11(12)20-4/h7-9H,5-6H2,1-4H3
InChIKey SPKLDHKFKUDGKF-UHFFFAOYSA-N
Mol Weight 314.77 g/mol
Molecular Formula C15H19ClO5
Exact Mass 314.092101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LmIek5EM7OX
Name Diethylmalonic acid, monochloride, 2,6-dimethoxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.092101407 u
Formula C15H19ClO5
InChI InChI=1S/C15H19ClO5/c1-5-15(6-2,13(16)17)14(18)21-12-10(19-3)8-7-9-11(12)20-4/h7-9H,5-6H2,1-4H3
InChIKey SPKLDHKFKUDGKF-UHFFFAOYSA-N
Molecular Weight 314.765 g/mol
SMILES COC1=C(C(=CC=C1)OC)OC(C(CC)(CC)C(Cl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907286