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Diethylmalonic acid, monochloride, 2-formylphenyl ester

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Diethylmalonic acid, monochloride, 2-formylphenyl ester
SpectraBase Compound ID 9850OGbGfxy
InChI InChI=1S/C14H15ClO4/c1-3-14(4-2,12(15)17)13(18)19-11-8-6-5-7-10(11)9-16/h5-9H,3-4H2,1-2H3
InChIKey GDGUNMJGQMVIAZ-UHFFFAOYSA-N
Mol Weight 282.72 g/mol
Molecular Formula C14H15ClO4
Exact Mass 282.065887 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FPY0YQZeXRG
Name Diethylmalonic acid, monochloride, 2-formylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.065886659 u
Formula C14H15ClO4
InChI InChI=1S/C14H15ClO4/c1-3-14(4-2,12(15)17)13(18)19-11-8-6-5-7-10(11)9-16/h5-9H,3-4H2,1-2H3
InChIKey GDGUNMJGQMVIAZ-UHFFFAOYSA-N
SMILES CCC(C(Cl)=O)(C(OC1=CC=CC=C1C=O)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947288