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Dichloroacetic acid, tridecyl ester

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

Dichloroacetic acid, tridecyl ester
SpectraBase Compound ID 7ZzR14e09zU
InChI InChI=1S/C15H28Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15(18)14(16)17/h14H,2-13H2,1H3
InChIKey LRIQRZGEIGXXLL-UHFFFAOYSA-N
Mol Weight 311.29 g/mol
Molecular Formula C15H28Cl2O2
Exact Mass 310.146636 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EvYudQODxks
Name Dichloroacetic acid, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.146635540 u
Formula C15H28Cl2O2
InChI InChI=1S/C15H28Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15(18)14(16)17/h14H,2-13H2,1H3
InChIKey LRIQRZGEIGXXLL-UHFFFAOYSA-N
Molecular Weight 311.293 g/mol
SMILES CCCCCCCCCCCCCOC(C(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946219