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Dichloroacetic acid, 2-tetradecyl ester

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

Dichloroacetic acid, 2-tetradecyl ester
SpectraBase Compound ID CZqx7OSjtzr
InChI InChI=1S/C16H30Cl2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)20-16(19)15(17)18/h14-15H,3-13H2,1-2H3
InChIKey NQUCERQXBVYQLM-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 2lykb0xQp6g
Name Dichloroacetic acid, 2-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/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)20-16(19)15(17)18/h14-15H,3-13H2,1-2H3
InChIKey NQUCERQXBVYQLM-UHFFFAOYSA-N
Molecular Weight 325.320 g/mol
SMILES CCCCCCCCCCCCC(C)OC(=O)C(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909051