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Dimethylmalonic acid, monochloride, decyl ester

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Dimethylmalonic acid, monochloride, decyl ester
SpectraBase Compound ID 2w5Y0TtXhFx
InChI InChI=1S/C15H27ClO3/c1-4-5-6-7-8-9-10-11-12-19-14(18)15(2,3)13(16)17/h4-12H2,1-3H3
InChIKey PEQBNQPKXJIGOR-UHFFFAOYSA-N
Mol Weight 290.83 g/mol
Molecular Formula C15H27ClO3
Exact Mass 290.164872 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BTVM50UrKoI
Name Dimethylmalonic acid, monochloride, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.164872426 u
Formula C15H27ClO3
InChI InChI=1S/C15H27ClO3/c1-4-5-6-7-8-9-10-11-12-19-14(18)15(2,3)13(16)17/h4-12H2,1-3H3
InChIKey PEQBNQPKXJIGOR-UHFFFAOYSA-N
Molecular Weight 290.831 g/mol
SMILES CCCCCCCCCCOC(=O)C(C)(C)C(Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862034