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Trichloroacetic acid, 4-tridecyl ester

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Trichloroacetic acid, 4-tridecyl ester
SpectraBase Compound ID 6SwF8vumDdA
InChI InChI=1S/C15H27Cl3O2/c1-3-5-6-7-8-9-10-12-13(11-4-2)20-14(19)15(16,17)18/h13H,3-12H2,1-2H3
InChIKey HGNDVVVFAHXBFA-UHFFFAOYSA-N
Mol Weight 345.74 g/mol
Molecular Formula C15H27Cl3O2
Exact Mass 344.107663 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4D7dCre6nIn
Name Trichloroacetic acid, 4-tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.107663207 u
Formula C15H27Cl3O2
InChI InChI=1S/C15H27Cl3O2/c1-3-5-6-7-8-9-10-12-13(11-4-2)20-14(19)15(16,17)18/h13H,3-12H2,1-2H3
InChIKey HGNDVVVFAHXBFA-UHFFFAOYSA-N
Molecular Weight 345.738 g/mol
SMILES C(Cl)(Cl)(Cl)C(OC(CCC)CCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92521