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Ethyl 3,3,3-trichloro-2-phenylpropanoate

View entire compound with spectra: 1 FTIR

Ethyl 3,3,3-trichloro-2-phenylpropanoate
SpectraBase Compound ID 49EoZtUC8f2
InChI InChI=1S/C11H11Cl3O2/c1-2-16-10(15)9(11(12,13)14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey OEWXTYUIQWQOJR-UHFFFAOYSA-N
Mol Weight 281.57 g/mol
Molecular Formula C11H11Cl3O2
Exact Mass 279.982463 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7OaOiD41XtY
Name Ethyl 3,3,3-trichloro-2-phenylpropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.982462692 u
Formula C11H11Cl3O2
InChI InChI=1S/C11H11Cl3O2/c1-2-16-10(15)9(11(12,13)14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey OEWXTYUIQWQOJR-UHFFFAOYSA-N
Molecular Weight 281.566 g/mol
SMILES C1=C(C=CC=C1)C(C(OCC)=O)C(Cl)(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821786