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Diethylmalonic acid, monochloride, 2-chlorophenyl ester

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Diethylmalonic acid, monochloride, 2-chlorophenyl ester
SpectraBase Compound ID 3i74Id2A131
InChI InChI=1S/C13H14Cl2O3/c1-3-13(4-2,11(15)16)12(17)18-10-8-6-5-7-9(10)14/h5-8H,3-4H2,1-2H3
InChIKey NNXBFWGWMZXTHU-UHFFFAOYSA-N
Mol Weight 289.16 g/mol
Molecular Formula C13H14Cl2O3
Exact Mass 288.032 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ACDdTKIk0sZ
Name Diethylmalonic acid, monochloride, 2-chlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.031999708 u
Formula C13H14Cl2O3
InChI InChI=1S/C13H14Cl2O3/c1-3-13(4-2,11(15)16)12(17)18-10-8-6-5-7-9(10)14/h5-8H,3-4H2,1-2H3
InChIKey NNXBFWGWMZXTHU-UHFFFAOYSA-N
SMILES C(C(C(Cl)=O)(C(OC1=CC=CC=C1Cl)=O)CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936278