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(E)-3-Chloro-4-iodobut-2-enoic acid
SpectraBase Compound ID 9rKMBnf0ItQ
InChI InChI=1S/C4H4ClIO2/c5-3(2-6)1-4(7)8/h1H,2H2,(H,7,8)/b3-1+
InChIKey SSIORMUXSONILL-HNQUOIGGSA-N
Mol Weight 246.43 g/mol
Molecular Formula C4H4ClIO2
Exact Mass 245.894452 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5VMPpgDoDLc
Name (E)-3-Chloro-4-iodobut-2-enoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.894452067 u
Formula C4H4ClIO2
InChI InChI=1S/C4H4ClIO2/c5-3(2-6)1-4(7)8/h1H,2H2,(H,7,8)/b3-1+
InChIKey SSIORMUXSONILL-HNQUOIGGSA-N
Molecular Weight 246.431 g/mol
SMILES C(\C=C/(Cl)CI)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.991737