| SpectraBase Compound ID | FfrhTygc5hu |
|---|---|
| InChI | InChI=1S/C15H27N/c16-14-10-13-15-11-8-6-4-2-1-3-5-7-9-12-15/h15H,1-13H2 |
| InChIKey | NDZRNUOBXQNJIM-UHFFFAOYSA-N |
| Mol Weight | 221.39 g/mol |
| Molecular Formula | C15H27N |
| Exact Mass | 221.21435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K2ak0FjeaIG |
|---|---|
| Name | Cyclododecanepropanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.214349873 u |
| Formula | C15H27N |
| InChI | InChI=1S/C15H27N/c16-14-10-13-15-11-8-6-4-2-1-3-5-7-9-12-15/h15H,1-13H2 |
| InChIKey | NDZRNUOBXQNJIM-UHFFFAOYSA-N |
| Molecular Weight | 221.388 g/mol |
| SMILES | C(CC#N)C1CCCCCCCCCCC1 |