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Butyl 1-(4-methoxyphenyl)-2,2,2-trichloroethyl carbonate

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Butyl 1-(4-methoxyphenyl)-2,2,2-trichloroethyl carbonate
SpectraBase Compound ID GZoKrEa2O4a
InChI InChI=1S/C14H17Cl3O4/c1-3-4-9-20-13(18)21-12(14(15,16)17)10-5-7-11(19-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3
InChIKey HEKLVAUAEDCIJU-UHFFFAOYSA-N
Mol Weight 355.65 g/mol
Molecular Formula C14H17Cl3O4
Exact Mass 354.019242 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fbk1PsShw8O
Name Butyl 1-(4-methoxyphenyl)-2,2,2-trichloroethyl carbonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.019242123 u
Formula C14H17Cl3O4
InChI InChI=1S/C14H17Cl3O4/c1-3-4-9-20-13(18)21-12(14(15,16)17)10-5-7-11(19-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3
InChIKey HEKLVAUAEDCIJU-UHFFFAOYSA-N
Molecular Weight 355.645 g/mol
SMILES c1(ccc(cc1)C(C(Cl)(Cl)Cl)OC(=O)OCCCC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920208