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Diethylmalonic acid, monochloride, phenethyl ester

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Diethylmalonic acid, monochloride, phenethyl ester
SpectraBase Compound ID 9f1SBiDsGli
InChI InChI=1S/C15H19ClO3/c1-3-15(4-2,13(16)17)14(18)19-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey QLTHBKHAZONEPU-UHFFFAOYSA-N
Mol Weight 282.77 g/mol
Molecular Formula C15H19ClO3
Exact Mass 282.102272 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ia5GPqVSL8O
Name Diethylmalonic acid, monochloride, phenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.102272169 u
Formula C15H19ClO3
InChI InChI=1S/C15H19ClO3/c1-3-15(4-2,13(16)17)14(18)19-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey QLTHBKHAZONEPU-UHFFFAOYSA-N
SMILES CCC(C(Cl)=O)(C(OCCC1=CC=CC=C1)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921366