![N-[4-Cyclododecylaminobutyl]aziridine](/api/spectrum/9OvgQQH8E5T/structure.png?h=300&w=458 "N-[4-Cyclododecylaminobutyl]aziridine")
| SpectraBase Compound ID | EqVBNYO45yA |
|---|---|
| InChI | InChI=1S/C18H36N2/c1-2-4-6-8-12-18(13-9-7-5-3-1)19-14-10-11-15-20-16-17-20/h18-19H,1-17H2 |
| InChIKey | XAPUKONYQBKXIW-UHFFFAOYSA-N |
| Mol Weight | 280.5 g/mol |
| Molecular Formula | C18H36N2 |
| Exact Mass | 280.287849 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9OvgQQH8E5T |
|---|---|
| Name | N-[4-Cyclododecylaminobutyl]aziridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.287849167 u |
| Formula | C18H36N2 |
| InChI | InChI=1S/C18H36N2/c1-2-4-6-8-12-18(13-9-7-5-3-1)19-14-10-11-15-20-16-17-20/h18-19H,1-17H2 |
| InChIKey | XAPUKONYQBKXIW-UHFFFAOYSA-N |
| SMILES | C1CCCCCCC(NCCCCN2CC2)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949391 |