SpectraBase Compound ID | 9rKMBnf0ItQ |
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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 |
SpectraBase Spectrum ID | 5VMPpgDoDLc |
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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 |