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Fumaric acid, di(2-chloropropyl) ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, di(2-chloropropyl) ester
SpectraBase Compound ID Jzmj7q93HPe
InChI InChI=1S/C10H14Cl2O4/c1-7(11)5-15-9(13)3-4-10(14)16-6-8(2)12/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKey XTVLIWMGYKFLMA-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 5IZMYEM9alX
Name Fumaric acid, di(2-chloropropyl) 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(11)5-15-9(13)3-4-10(14)16-6-8(2)12/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKey XTVLIWMGYKFLMA-ONEGZZNKSA-N
Molecular Weight 269.124 g/mol
SMILES C(OCC(C)Cl)(\C=C\C(OCC(C)Cl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957499