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Carbonic acid, dodecyl 2,2,2-trichloroethyl ester

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

Carbonic acid, dodecyl 2,2,2-trichloroethyl ester
SpectraBase Compound ID 8zIMbKKjIIT
InChI InChI=1S/C15H27Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-20-14(19)21-13-15(16,17)18/h2-13H2,1H3
InChIKey SWYUFYXBVKPLFO-UHFFFAOYSA-N
Mol Weight 361.74 g/mol
Molecular Formula C15H27Cl3O3
Exact Mass 360.102578 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CwsEAsjLmRt
Name Carbonic acid, dodecyl 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 360.102577826 u
Formula C15H27Cl3O3
InChI InChI=1S/C15H27Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-20-14(19)21-13-15(16,17)18/h2-13H2,1H3
InChIKey SWYUFYXBVKPLFO-UHFFFAOYSA-N
Molecular Weight 361.737 g/mol
SMILES C(COC(OCCCCCCCCCCCC)=O)(Cl)(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840395