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Dichloroacetic acid, tetradecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Dichloroacetic acid, tetradecyl ester
SpectraBase Compound ID GdSM5ssEyFe
InChI InChI=1S/C16H30Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)15(17)18/h15H,2-14H2,1H3
InChIKey JFGNOMDHPRPBJP-UHFFFAOYSA-N
Mol Weight 325.32 g/mol
Molecular Formula C16H30Cl2O2
Exact Mass 324.162286 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KCqqqK1nTen
Name Dichloroacetic acid, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.162285604 u
Formula C16H30Cl2O2
InChI InChI=1S/C16H30Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)15(17)18/h15H,2-14H2,1H3
InChIKey JFGNOMDHPRPBJP-UHFFFAOYSA-N
Molecular Weight 325.320 g/mol
SMILES CCCCCCCCCCCCCCOC(C(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937284