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Glutaric acid, 3-chlorophenyl phenethyl ester
SpectraBase Compound ID H5IyjDxLMg1
InChI InChI=1S/C19H19ClO4/c20-16-8-4-9-17(14-16)24-19(22)11-5-10-18(21)23-13-12-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2
InChIKey NLGBBVIIVWUUEM-UHFFFAOYSA-N
Mol Weight 346.81 g/mol
Molecular Formula C19H19ClO4
Exact Mass 346.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3hyy5TUafai
Name Glutaric acid, 3-chlorophenyl phenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.097186788 u
Formula C19H19ClO4
InChI InChI=1S/C19H19ClO4/c20-16-8-4-9-17(14-16)24-19(22)11-5-10-18(21)23-13-12-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2
InChIKey NLGBBVIIVWUUEM-UHFFFAOYSA-N
Molecular Weight 346.810 g/mol
SMILES C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OCCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861082