| SpectraBase Compound ID | 4oxxQzrwn05 |
|---|---|
| InChI | InChI=1S/C6H12ClI/c7-5-3-1-2-4-6-8/h1-6H2 |
| InChIKey | QTJHNJCILMMRIQ-UHFFFAOYSA-N |
| Mol Weight | 246.52 g/mol |
| Molecular Formula | C6H12ClI |
| Exact Mass | 245.967223 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KUVIgNCTzN |
|---|---|
| Name | 1-Chloro-6-iodohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.967223086 u |
| Formula | C6H12ClI |
| InChI | InChI=1S/C6H12ClI/c7-5-3-1-2-4-6-8/h1-6H2 |
| InChIKey | QTJHNJCILMMRIQ-UHFFFAOYSA-N |
| Molecular Weight | 246.519 g/mol |
| SMILES | C(Cl)CCCCCI |
| Spectrum/Structure Validation Score (Raman) | 0.963926 |