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Fumaric acid, 2,2-dichloroethyl isobutyl ester
SpectraBase Compound ID wOqLREzxoU
InChI InChI=1S/C10H14Cl2O4/c1-7(2)5-15-9(13)3-4-10(14)16-6-8(11)12/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKey IKJKPEUGXREZPB-ONEGZZNKSA-N
Mol Weight 269.12 g/mol
Molecular Formula C10H14Cl2O4
Exact Mass 268.026914 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JB4wWJ8M6ko
Name Fumaric acid, 2,2-dichloroethyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.026914327 u
Formula C10H14Cl2O4
InChI InChI=1S/C10H14Cl2O4/c1-7(2)5-15-9(13)3-4-10(14)16-6-8(11)12/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKey IKJKPEUGXREZPB-ONEGZZNKSA-N
SMILES C(OCC(Cl)Cl)(\C=C\C(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880048