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Adipic acid, 2,2-dichloroethyl propyl ester

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Adipic acid, 2,2-dichloroethyl propyl ester
SpectraBase Compound ID FsACacxSRjr
InChI InChI=1S/C11H18Cl2O4/c1-2-7-16-10(14)5-3-4-6-11(15)17-8-9(12)13/h9H,2-8H2,1H3
InChIKey SAFVILILGJGGST-UHFFFAOYSA-N
Mol Weight 285.17 g/mol
Molecular Formula C11H18Cl2O4
Exact Mass 284.058214 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4OF7xGuMUIY
Name Adipic acid, 2,2-dichloroethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.058214456 u
Formula C11H18Cl2O4
InChI InChI=1S/C11H18Cl2O4/c1-2-7-16-10(14)5-3-4-6-11(15)17-8-9(12)13/h9H,2-8H2,1H3
InChIKey SAFVILILGJGGST-UHFFFAOYSA-N
Molecular Weight 285.167 g/mol
SMILES C(C(OCC(Cl)Cl)=O)CCCC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864591