![1-Bromo-6-(chloromethyl)tricyclo[3.1.0.0(2,6)]hexane](/api/spectrum/968AlnRilei/structure.png?h=300&w=458 "1-Bromo-6-(chloromethyl)tricyclo[3.1.0.0(2,6)]hexane")
| SpectraBase Compound ID | 6IXLh4nCGC |
|---|---|
| InChI | InChI=1S/C7H8BrCl/c8-7-4-1-2-5(7)6(4,7)3-9/h4-5H,1-3H2 |
| InChIKey | FREHVNNNPFOSET-UHFFFAOYSA-N |
| Mol Weight | 207.5 g/mol |
| Molecular Formula | C7H8BrCl |
| Exact Mass | 205.949791 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 968AlnRilei |
|---|---|
| Name | 1-Bromo-6-(chloromethyl)tricyclo[3.1.0.0(2,6)]hexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.949790958 u |
| Formula | C7H8BrCl |
| InChI | InChI=1S/C7H8BrCl/c8-7-4-1-2-5(7)6(4,7)3-9/h4-5H,1-3H2 |
| InChIKey | FREHVNNNPFOSET-UHFFFAOYSA-N |
| Molecular Weight | 207.498 g/mol |
| SMILES | C12(C3(Br)C2CCC13)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848364 |