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Carbonic acid, 2-methylbutyl 2,2,2-trichloroethyl ester

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Carbonic acid, 2-methylbutyl 2,2,2-trichloroethyl ester
SpectraBase Compound ID McFhBNXXZF
InChI InChI=1S/C8H13Cl3O3/c1-3-6(2)4-13-7(12)14-5-8(9,10)11/h6H,3-5H2,1-2H3
InChIKey NEIITFZNDHTAJV-UHFFFAOYSA-N
Mol Weight 263.55 g/mol
Molecular Formula C8H13Cl3O3
Exact Mass 261.993027 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GUyhYgHqgC3
Name Carbonic acid, 2-methylbutyl 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 261.993027376 u
Formula C8H13Cl3O3
InChI InChI=1S/C8H13Cl3O3/c1-3-6(2)4-13-7(12)14-5-8(9,10)11/h6H,3-5H2,1-2H3
InChIKey NEIITFZNDHTAJV-UHFFFAOYSA-N
Molecular Weight 263.548 g/mol
SMILES CCC(C)COC(OCC(Cl)(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915659