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4-Hexenoic acid, 6,6,6-trichloro-, ethyl ester, (E)-

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4-Hexenoic acid, 6,6,6-trichloro-, ethyl ester, (E)-
SpectraBase Compound ID 1M3ihLGZPjG
InChI InChI=1S/C8H11Cl3O2/c1-2-13-7(12)5-3-4-6-8(9,10)11/h4,6H,2-3,5H2,1H3/b6-4+
InChIKey KMWKFTCAMNDMJY-GQCTYLIASA-N
Mol Weight 245.53 g/mol
Molecular Formula C8H11Cl3O2
Exact Mass 243.982463 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ASJoTU8VEpW
Name 4-Hexenoic acid, 6,6,6-trichloro-, ethyl ester, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.982462692 u
Formula C8H11Cl3O2
InChI InChI=1S/C8H11Cl3O2/c1-2-13-7(12)5-3-4-6-8(9,10)11/h4,6H,2-3,5H2,1H3/b6-4+
InChIKey KMWKFTCAMNDMJY-GQCTYLIASA-N
Molecular Weight 245.533 g/mol
SMILES C(\C=C\C(Cl)(Cl)Cl)CC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875368