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Dodecanoic acid, 2,2,2-trichloroethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Dodecanoic acid, 2,2,2-trichloroethyl ester
SpectraBase Compound ID Ej2XARfIgDw
InChI InChI=1S/C14H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-13(18)19-12-14(15,16)17/h2-12H2,1H3
InChIKey DZEDAIOKGLWUJP-UHFFFAOYSA-N
Mol Weight 331.71 g/mol
Molecular Formula C14H25Cl3O2
Exact Mass 330.092013 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JJlchWtleJy
Name Dodecanoic acid, 2,2,2-trichloroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.092013143 u
Formula C14H25Cl3O2
InChI InChI=1S/C14H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-13(18)19-12-14(15,16)17/h2-12H2,1H3
InChIKey DZEDAIOKGLWUJP-UHFFFAOYSA-N
Molecular Weight 331.711 g/mol
SMILES C(COC(CCCCCCCCCCC)=O)(Cl)(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877585