| SpectraBase Compound ID | Hmk4FQDhD4N |
|---|---|
| InChI | InChI=1S/C12H24N2/c1-2-7-11-14(10-6-1)12-8-4-3-5-9-13-12/h12-13H,1-11H2 |
| InChIKey | UWSCJICCRXNKCK-UHFFFAOYSA-N |
| Mol Weight | 196.34 g/mol |
| Molecular Formula | C12H24N2 |
| Exact Mass | 196.193949 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2hjdxxzIgcF |
|---|---|
| Name | 2-(Perhydroazepino)-perhydroazepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.193948781 u |
| Formula | C12H24N2 |
| InChI | InChI=1S/C12H24N2/c1-2-7-11-14(10-6-1)12-8-4-3-5-9-13-12/h12-13H,1-11H2 |
| InChIKey | UWSCJICCRXNKCK-UHFFFAOYSA-N |
| Molecular Weight | 196.338 g/mol |
| SMILES | C1(N2CCCCCC2)NCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978115 |