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4-Chlorobutyric acid, 3-ethylphenyl ester

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4-Chlorobutyric acid, 3-ethylphenyl ester
SpectraBase Compound ID CjFdHoLbPOa
InChI InChI=1S/C12H15ClO2/c1-2-10-5-3-6-11(9-10)15-12(14)7-4-8-13/h3,5-6,9H,2,4,7-8H2,1H3
InChIKey VYWJAMFRRKYCKZ-UHFFFAOYSA-N
Mol Weight 226.7 g/mol
Molecular Formula C12H15ClO2
Exact Mass 226.076057 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3JYA7QDtXG9
Name 4-Chlorobutyric acid, 3-ethylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.076057421 u
Formula C12H15ClO2
InChI InChI=1S/C12H15ClO2/c1-2-10-5-3-6-11(9-10)15-12(14)7-4-8-13/h3,5-6,9H,2,4,7-8H2,1H3
InChIKey VYWJAMFRRKYCKZ-UHFFFAOYSA-N
Molecular Weight 226.703 g/mol
SMILES CCC1=CC=CC(OC(CCCCl)=O)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892552