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Dichloroacetic acid, 4-tetradecyl ester

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

Dichloroacetic acid, 4-tetradecyl ester
SpectraBase Compound ID 1Gw7J0rxv33
InChI InChI=1S/C16H30Cl2O2/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)20-16(19)15(17)18/h14-15H,3-13H2,1-2H3
InChIKey QBAHIMDTVPQCSA-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 AzFQKSJ6Fh4
Name Dichloroacetic acid, 4-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/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)20-16(19)15(17)18/h14-15H,3-13H2,1-2H3
InChIKey QBAHIMDTVPQCSA-UHFFFAOYSA-N
Molecular Weight 325.320 g/mol
SMILES CCCC(OC(=O)C(Cl)Cl)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914168