| SpectraBase Compound ID | F3KUoZp0Jgo |
|---|---|
| InChI | InChI=1S/C6H12BrCl/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3 |
| InChIKey | ZQGLZNMSJLSRJR-UHFFFAOYSA-N |
| Mol Weight | 199.52 g/mol |
| Molecular Formula | C6H12BrCl |
| Exact Mass | 197.981091 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6e5JLRbppa0 |
|---|---|
| Name | 1-Bromo-2-chlorohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.981091086 u |
| Formula | C6H12BrCl |
| InChI | InChI=1S/C6H12BrCl/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3 |
| InChIKey | ZQGLZNMSJLSRJR-UHFFFAOYSA-N |
| Molecular Weight | 199.519 g/mol |
| SMILES | C(Cl)(CBr)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938741 |