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Trichloroacetic acid, tetradecyl ester

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

Trichloroacetic acid, tetradecyl ester
SpectraBase Compound ID I0RYdmTiiYx
InChI InChI=1S/C16H29Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h2-14H2,1H3
InChIKey CAUJGQDJKZXWDE-UHFFFAOYSA-N
Mol Weight 359.77 g/mol
Molecular Formula C16H29Cl3O2
Exact Mass 358.123313 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID sHv1bZofRj
Name Trichloroacetic acid, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.123313272 u
Formula C16H29Cl3O2
InChI InChI=1S/C16H29Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h2-14H2,1H3
InChIKey CAUJGQDJKZXWDE-UHFFFAOYSA-N
Molecular Weight 359.765 g/mol
SMILES CCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945045