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Dimethylmalonic acid, monochloride, phenyl ester

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Dimethylmalonic acid, monochloride, phenyl ester
SpectraBase Compound ID 4zVYemTUT8w
InChI InChI=1S/C11H11ClO3/c1-11(2,9(12)13)10(14)15-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey DWONEIVVVSPZEN-UHFFFAOYSA-N
Mol Weight 226.66 g/mol
Molecular Formula C11H11ClO3
Exact Mass 226.039672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C8lvJLCtlLE
Name Dimethylmalonic acid, monochloride, phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.039671911 u
Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c1-11(2,9(12)13)10(14)15-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey DWONEIVVVSPZEN-UHFFFAOYSA-N
Molecular Weight 226.659 g/mol
SMILES C1=CC=CC(=C1)OC(C(C(Cl)=O)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935261