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Glutaric acid, 3-methylbut-2-yl 4-chlorobenzyl ester

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Glutaric acid, 3-methylbut-2-yl 4-chlorobenzyl ester
SpectraBase Compound ID Dcn2qMUf9zF
InChI InChI=1S/C17H23ClO4/c1-12(2)13(3)22-17(20)6-4-5-16(19)21-11-14-7-9-15(18)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3
InChIKey PLVBJCCCMNOVDM-UHFFFAOYSA-N
Mol Weight 326.82 g/mol
Molecular Formula C17H23ClO4
Exact Mass 326.128487 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID In7nJD886Rh
Name Glutaric acid, 3-methylbut-2-yl 4-chlorobenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.128486917 u
Formula C17H23ClO4
InChI InChI=1S/C17H23ClO4/c1-12(2)13(3)22-17(20)6-4-5-16(19)21-11-14-7-9-15(18)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3
InChIKey PLVBJCCCMNOVDM-UHFFFAOYSA-N
Molecular Weight 326.820 g/mol
SMILES C(CCC(OC(C(C)C)C)=O)C(OCC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857067