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Glutaric acid, 4-chloromethylbenzyl ethyl ester

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Glutaric acid, 4-chloromethylbenzyl ethyl ester
SpectraBase Compound ID CclKTqd9MNx
InChI InChI=1S/C15H19ClO4/c1-2-19-14(17)4-3-5-15(18)20-11-13-8-6-12(10-16)7-9-13/h6-9H,2-5,10-11H2,1H3
InChIKey ZCCBBNJAMJFPBI-UHFFFAOYSA-N
Mol Weight 298.77 g/mol
Molecular Formula C15H19ClO4
Exact Mass 298.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lui9vIg04uc
Name Glutaric acid, 4-chloromethylbenzyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.097186788 u
Formula C15H19ClO4
InChI InChI=1S/C15H19ClO4/c1-2-19-14(17)4-3-5-15(18)20-11-13-8-6-12(10-16)7-9-13/h6-9H,2-5,10-11H2,1H3
InChIKey ZCCBBNJAMJFPBI-UHFFFAOYSA-N
SMILES C(OCC=1C=CC(=CC1)CCl)(=O)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933507