SpectraBase Compound ID | 94UHHEAkvvg |
---|---|
InChI | InChI=1S/C5H5IO/c6-4-2-1-3-5-7/h1-5H/b3-1+,4-2- |
InChIKey | BOIFHZPYWVJCKZ-TZFCGSKZSA-N |
Mol Weight | 208.0 g/mol |
Molecular Formula | C5H5IO |
Exact Mass | 207.93851 g/mol |
SpectraBase Spectrum ID | DmXo0ownFjU |
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Name | 2E,4Z-5-Iodopenta-2,4-dienal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 207.938509780 u |
Formula | C5H5IO |
InChI | InChI=1S/C5H5IO/c6-4-2-1-3-5-7/h1-5H/b3-1+,4-2- |
InChIKey | BOIFHZPYWVJCKZ-TZFCGSKZSA-N |
Molecular Weight | 207.998 g/mol |
SMILES | C(\C=C\C=C/I)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849968 |