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Glutaric acid, 2,2-dichloroethyl pent-4-en-2-yl ester

View entire compound with spectra: 1 FTIR

Glutaric acid, 2,2-dichloroethyl pent-4-en-2-yl ester
SpectraBase Compound ID 9r99qfs3XGs
InChI InChI=1S/C12H18Cl2O4/c1-3-5-9(2)18-12(16)7-4-6-11(15)17-8-10(13)14/h3,9-10H,1,4-8H2,2H3
InChIKey UWMODBSUYGPTCV-UHFFFAOYSA-N
Mol Weight 297.18 g/mol
Molecular Formula C12H18Cl2O4
Exact Mass 296.058214 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8YAswccwLJm
Name Glutaric acid, 2,2-dichloroethyl pent-4-en-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.058214456 u
Formula C12H18Cl2O4
InChI InChI=1S/C12H18Cl2O4/c1-3-5-9(2)18-12(16)7-4-6-11(15)17-8-10(13)14/h3,9-10H,1,4-8H2,2H3
InChIKey UWMODBSUYGPTCV-UHFFFAOYSA-N
Molecular Weight 297.178 g/mol
SMILES C(CCC(OCC(Cl)Cl)=O)C(OC(C)CC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904388