![N-[2-[Cyclooctylamino]ethyl]aziridine](/api/spectrum/Ims4fFgwKbc/structure.png?h=300&w=458 "N-[2-[Cyclooctylamino]ethyl]aziridine")
| SpectraBase Compound ID | 7lSK9Zd9NoD |
|---|---|
| InChI | InChI=1S/C12H24N2/c1-2-4-6-12(7-5-3-1)13-8-9-14-10-11-14/h12-13H,1-11H2 |
| InChIKey | NUNNTXLQWZLREQ-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 | Ims4fFgwKbc |
|---|---|
| Name | N-[2-[Cyclooctylamino]ethyl]aziridine |
| 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/c1-2-4-6-12(7-5-3-1)13-8-9-14-10-11-14/h12-13H,1-11H2 |
| InChIKey | NUNNTXLQWZLREQ-UHFFFAOYSA-N |
| Molecular Weight | 196.338 g/mol |
| SMILES | C1CC(NCCN2CC2)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922668 |