SpectraBase Compound ID | CZw6VlFPTNX |
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InChI | InChI=1S/C6H12ClF/c1-2-6(8)4-3-5-7/h6H,2-5H2,1H3 |
InChIKey | VTVVKYOZGVWNPB-UHFFFAOYSA-N |
Mol Weight | 138.61 g/mol |
Molecular Formula | C6H12ClF |
Exact Mass | 138.061156 g/mol |
SpectraBase Spectrum ID | J31v6dhWLg3 |
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Name | 1-Chloro-4-fluorohexane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 138.061156249 u |
Formula | C6H12ClF |
InChI | InChI=1S/C6H12ClF/c1-2-6(8)4-3-5-7/h6H,2-5H2,1H3 |
InChIKey | VTVVKYOZGVWNPB-UHFFFAOYSA-N |
Molecular Weight | 138.613 g/mol |
SMILES | C(CCC(CC)F)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875314 |