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1,3-Butadiene-1,2,4-tricarboxylic acid, 4-chloro-, trimethyl ester, (E,E)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,3-Butadiene-1,2,4-tricarboxylic acid, 4-chloro-, trimethyl ester, (E,E)-
SpectraBase Compound ID 2MqdBJSFysS
InChI InChI=1S/C10H11ClO6/c1-15-8(12)5-6(9(13)16-2)4-7(11)10(14)17-3/h4-5H,1-3H3/b6-5+,7-4+
InChIKey UBFPUWUAWLACTC-HVUXDCMCSA-N
Mol Weight 262.64 g/mol
Molecular Formula C10H11ClO6
Exact Mass 262.024416 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DogNvMHJQ1u
Name 1,3-Butadiene-1,2,4-tricarboxylic acid, 4-chloro-, trimethyl ester, (E,E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.024415768 u
Formula C10H11ClO6
InChI InChI=1S/C10H11ClO6/c1-15-8(12)5-6(9(13)16-2)4-7(11)10(14)17-3/h4-5H,1-3H3/b6-5+,7-4+
InChIKey UBFPUWUAWLACTC-HVUXDCMCSA-N
SMILES C(\C(=C/C(=C\C(=O)OC)C(=O)OC)Cl)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979157