![1-Bromo-3-methyl-bicyclo-[1.1.1]-pentane](/api/spectrum/K7CoqbdHOKM/structure.png?h=300&w=458 "1-Bromo-3-methyl-bicyclo-[1.1.1]-pentane")
| SpectraBase Compound ID | 87mVo7gzuES |
|---|---|
| InChI | InChI=1S/C6H9Br/c1-5-2-6(7,3-5)4-5/h2-4H2,1H3 |
| InChIKey | KAOMZYAXOQSYJB-UHFFFAOYSA-N |
| Mol Weight | 161.04 g/mol |
| Molecular Formula | C6H9Br |
| Exact Mass | 159.988763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K7CoqbdHOKM |
|---|---|
| Name | 1-Bromo-3-methyl-bicyclo-[1.1.1]-pentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.988763290 u |
| Formula | C6H9Br |
| InChI | InChI=1S/C6H9Br/c1-5-2-6(7,3-5)4-5/h2-4H2,1H3 |
| InChIKey | KAOMZYAXOQSYJB-UHFFFAOYSA-N |
| Molecular Weight | 161.042 g/mol |
| SMILES | C12(Br)CC(C2)(C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934533 |