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Glutaric acid, 2,2-dichloroethyl 4-chloro-2-methoxyphenyl ester
SpectraBase Compound ID JLXRWJbqdBd
InChI InChI=1S/C14H15Cl3O5/c1-20-11-7-9(15)5-6-10(11)22-14(19)4-2-3-13(18)21-8-12(16)17/h5-7,12H,2-4,8H2,1H3
InChIKey XSDKLDUDSXYTFN-UHFFFAOYSA-N
Mol Weight 369.63 g/mol
Molecular Formula C14H15Cl3O5
Exact Mass 367.998507 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6e7dWjSCBB8
Name Glutaric acid, 2,2-dichloroethyl 4-chloro-2-methoxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.998506678 u
Formula C14H15Cl3O5
InChI InChI=1S/C14H15Cl3O5/c1-20-11-7-9(15)5-6-10(11)22-14(19)4-2-3-13(18)21-8-12(16)17/h5-7,12H,2-4,8H2,1H3
InChIKey XSDKLDUDSXYTFN-UHFFFAOYSA-N
Molecular Weight 369.628 g/mol
SMILES C(CCC(OCC(Cl)Cl)=O)C(OC1=CC=C(C=C1OC)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927134