![2-sec-Butyl-2-azabicyclo[2.1.1]hexane](/api/spectrum/CIZSTLQsxYU/structure.png?h=300&w=458 "2-sec-Butyl-2-azabicyclo[2.1.1]hexane")
| SpectraBase Compound ID | LCGtJlFRcO6 |
|---|---|
| InChI | InChI=1S/C9H17N/c1-3-7(2)10-6-8-4-9(10)5-8/h7-9H,3-6H2,1-2H3/t7?,8-,9+ |
| InChIKey | IGUWNTCHBKSGRZ-CBLAIPOGSA-N |
| Mol Weight | 139.24 g/mol |
| Molecular Formula | C9H17N |
| Exact Mass | 139.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CIZSTLQsxYU |
|---|---|
| Name | 2-sec-Butyl-2-azabicyclo[2.1.1]hexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.136099551 u |
| Formula | C9H17N |
| InChI | InChI=1S/C9H17N/c1-3-7(2)10-6-8-4-9(10)5-8/h7-9H,3-6H2,1-2H3/t7?,8-,9+ |
| InChIKey | IGUWNTCHBKSGRZ-CBLAIPOGSA-N |
| Molecular Weight | 139.242 g/mol |
| SMILES | [C@]12(N(C[C@](C2)(C1)[H])C(CC)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896636 |