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Dichloroacetic acid, 2-pentadecyl ester

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

Dichloroacetic acid, 2-pentadecyl ester
SpectraBase Compound ID 5oN8Q4ofrmd
InChI InChI=1S/C17H32Cl2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)21-17(20)16(18)19/h15-16H,3-14H2,1-2H3
InChIKey BFKLXVDBZSHXRA-UHFFFAOYSA-N
Mol Weight 339.3 g/mol
Molecular Formula C17H32Cl2O2
Exact Mass 338.177936 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HpUDBwC4AmA
Name Dichloroacetic acid, 2-pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.177935668 u
Formula C17H32Cl2O2
InChI InChI=1S/C17H32Cl2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)21-17(20)16(18)19/h15-16H,3-14H2,1-2H3
InChIKey BFKLXVDBZSHXRA-UHFFFAOYSA-N
Molecular Weight 339.347 g/mol
SMILES CCCCCCCCCCCCCC(C)OC(=O)C(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864415