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Dimethylmalonic acid, monochloride, tetradecyl ester

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Dimethylmalonic acid, monochloride, tetradecyl ester
SpectraBase Compound ID D1TxHNEkGDb
InChI InChI=1S/C19H35ClO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18(22)19(2,3)17(20)21/h4-16H2,1-3H3
InChIKey UHIWAHJRPOABKH-UHFFFAOYSA-N
Mol Weight 346.9 g/mol
Molecular Formula C19H35ClO3
Exact Mass 346.227473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 78picJaQM3L
Name Dimethylmalonic acid, monochloride, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.227472684 u
Formula C19H35ClO3
InChI InChI=1S/C19H35ClO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18(22)19(2,3)17(20)21/h4-16H2,1-3H3
InChIKey UHIWAHJRPOABKH-UHFFFAOYSA-N
Molecular Weight 346.939 g/mol
SMILES CCCCCCCCCCCCCCOC(=O)C(C)(C)C(Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935126