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Glutaric acid, 3-methylbut-2-en-1-yl 2,2-dichloroethyl ester

View entire compound with spectra: 1 FTIR

Glutaric acid, 3-methylbut-2-en-1-yl 2,2-dichloroethyl ester
SpectraBase Compound ID 1xpoTrJDZhH
InChI InChI=1S/C12H18Cl2O4/c1-9(2)6-7-17-11(15)4-3-5-12(16)18-8-10(13)14/h6,10H,3-5,7-8H2,1-2H3
InChIKey FWPWPOKNRKZFII-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 HFFf5ljf29g
Name Glutaric acid, 3-methylbut-2-en-1-yl 2,2-dichloroethyl 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/c1-9(2)6-7-17-11(15)4-3-5-12(16)18-8-10(13)14/h6,10H,3-5,7-8H2,1-2H3
InChIKey FWPWPOKNRKZFII-UHFFFAOYSA-N
Molecular Weight 297.178 g/mol
SMILES C(CCC(OCC=C(C)C)=O)C(OCC(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886888