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

View entire compound with spectra: 1 FTIR

Glutaric acid, 3-methylbut-2-yl 2,2-dichloroethyl ester
SpectraBase Compound ID vFb70Wqe7Y
InChI InChI=1S/C12H20Cl2O4/c1-8(2)9(3)18-12(16)6-4-5-11(15)17-7-10(13)14/h8-10H,4-7H2,1-3H3
InChIKey PELKZLOXQRMYOE-UHFFFAOYSA-N
Mol Weight 299.19 g/mol
Molecular Formula C12H20Cl2O4
Exact Mass 298.073865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BAk80F5hgJa
Name Glutaric acid, 3-methylbut-2-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 298.073864520 u
Formula C12H20Cl2O4
InChI InChI=1S/C12H20Cl2O4/c1-8(2)9(3)18-12(16)6-4-5-11(15)17-7-10(13)14/h8-10H,4-7H2,1-3H3
InChIKey PELKZLOXQRMYOE-UHFFFAOYSA-N
SMILES C(CCC(OC(C(C)C)C)=O)C(OCC(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933188