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Succinic acid, 2,2-dichloroethyl neopentyl ester

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Succinic acid, 2,2-dichloroethyl neopentyl ester
SpectraBase Compound ID 7pNrk4JtxPh
InChI InChI=1S/C11H18Cl2O4/c1-11(2,3)7-17-10(15)5-4-9(14)16-6-8(12)13/h8H,4-7H2,1-3H3
InChIKey KYTJDDFPQLHXAC-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 2x7ZWKlyr18
Name Succinic acid, 2,2-dichloroethyl neopentyl 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/c1-11(2,3)7-17-10(15)5-4-9(14)16-6-8(12)13/h8H,4-7H2,1-3H3
InChIKey KYTJDDFPQLHXAC-UHFFFAOYSA-N
Molecular Weight 285.167 g/mol
SMILES C(CC(OCC(Cl)Cl)=O)C(OCC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934777