SpectraBase Compound ID | 4rGqAG81jpL |
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InChI | InChI=1S/C5H7ClO/c1-2-3-5(6)4-7/h3-4H,2H2,1H3/b5-3- |
InChIKey | LPSXXEPHIDKUKN-HYXAFXHYSA-N |
Mol Weight | 118.56 g/mol |
Molecular Formula | C5H7ClO |
Exact Mass | 118.018543 g/mol |
SpectraBase Spectrum ID | 3xLrXrmw9lC |
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Name | 2-Chloro-2-pentenal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 118.018542544 u |
Formula | C5H7ClO |
InChI | InChI=1S/C5H7ClO/c1-2-3-5(6)4-7/h3-4H,2H2,1H3/b5-3- |
InChIKey | LPSXXEPHIDKUKN-HYXAFXHYSA-N |
Molecular Weight | 118.563 g/mol |
SMILES | C(\C=C\(C=O)Cl)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878407 |