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Glutaric acid, 2,2-dichloroethyl 3-ethylphenyl ester

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Glutaric acid, 2,2-dichloroethyl 3-ethylphenyl ester
SpectraBase Compound ID 1AEi3sF5Xph
InChI InChI=1S/C15H18Cl2O4/c1-2-11-5-3-6-12(9-11)21-15(19)8-4-7-14(18)20-10-13(16)17/h3,5-6,9,13H,2,4,7-8,10H2,1H3
InChIKey IQDWMYHQTNGKEL-UHFFFAOYSA-N
Mol Weight 333.21 g/mol
Molecular Formula C15H18Cl2O4
Exact Mass 332.058214 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AsutD5YPDNB
Name Glutaric acid, 2,2-dichloroethyl 3-ethylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.058214456 u
Formula C15H18Cl2O4
InChI InChI=1S/C15H18Cl2O4/c1-2-11-5-3-6-12(9-11)21-15(19)8-4-7-14(18)20-10-13(16)17/h3,5-6,9,13H,2,4,7-8,10H2,1H3
InChIKey IQDWMYHQTNGKEL-UHFFFAOYSA-N
Molecular Weight 333.211 g/mol
SMILES C(CCC(OCC(Cl)Cl)=O)C(OC1=CC=CC(CC)=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809359