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Trichloroacetic acid, hexadecyl ester

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

Trichloroacetic acid, hexadecyl ester
SpectraBase Compound ID 3GD10qhMn6
InChI InChI=1S/C18H33Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17(22)18(19,20)21/h2-16H2,1H3
InChIKey CCFJXGUHYQBXDT-UHFFFAOYSA-N
Mol Weight 387.8 g/mol
Molecular Formula C18H33Cl3O2
Exact Mass 386.154613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID hftsZjq0wi
Name Trichloroacetic acid, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.154613401 u
Formula C18H33Cl3O2
InChI InChI=1S/C18H33Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17(22)18(19,20)21/h2-16H2,1H3
InChIKey CCFJXGUHYQBXDT-UHFFFAOYSA-N
Molecular Weight 387.819 g/mol
SMILES CCCCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914386