![1-Iodo-3-methyl-bicyclo-[1.1.1]-pentane](/api/spectrum/GW9fc3XFPa8/structure.png?h=300&w=458 "1-Iodo-3-methyl-bicyclo-[1.1.1]-pentane")
| SpectraBase Compound ID | kNE8B9N1Wh |
|---|---|
| InChI | InChI=1S/C6H9I/c1-5-2-6(7,3-5)4-5/h2-4H2,1H3 |
| InChIKey | KKJUVXJKGMIUEC-UHFFFAOYSA-N |
| Mol Weight | 208.04 g/mol |
| Molecular Formula | C6H9I |
| Exact Mass | 207.974895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GW9fc3XFPa8 |
|---|---|
| Name | 1-Iodo-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 | 207.974895290 u |
| Formula | C6H9I |
| InChI | InChI=1S/C6H9I/c1-5-2-6(7,3-5)4-5/h2-4H2,1H3 |
| InChIKey | KKJUVXJKGMIUEC-UHFFFAOYSA-N |
| Molecular Weight | 208.042 g/mol |
| SMILES | C12(I)CC(C2)(C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863375 |