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Sebacic acid, 2,2-dichloroethyl ethyl ester

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Sebacic acid, 2,2-dichloroethyl ethyl ester
SpectraBase Compound ID 2VaNsX8opK0
InChI InChI=1S/C14H24Cl2O4/c1-2-19-13(17)9-7-5-3-4-6-8-10-14(18)20-11-12(15)16/h12H,2-11H2,1H3
InChIKey BVCZMWSVTSHPBM-UHFFFAOYSA-N
Mol Weight 327.25 g/mol
Molecular Formula C14H24Cl2O4
Exact Mass 326.105165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7xpIZBymAqH
Name Sebacic acid, 2,2-dichloroethyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.105164649 u
Formula C14H24Cl2O4
InChI InChI=1S/C14H24Cl2O4/c1-2-19-13(17)9-7-5-3-4-6-8-10-14(18)20-11-12(15)16/h12H,2-11H2,1H3
InChIKey BVCZMWSVTSHPBM-UHFFFAOYSA-N
Molecular Weight 327.248 g/mol
SMILES C(CCCCCCCCC(OCC)=O)(OCC(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.989386