| SpectraBase Compound ID | 21vIeyO0xVl |
|---|---|
| InChI | InChI=1S/C22H45N3O/c23-17-12-14-20-25-21-15-19-24-18-13-10-8-6-4-2-1-3-5-7-9-11-16-22(25)26/h24H,1-21,23H2 |
| InChIKey | HFLBDALPDBFHHL-UHFFFAOYSA-N |
| Mol Weight | 367.6 g/mol |
| Molecular Formula | C22H45N3O |
| Exact Mass | 367.356263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GI6Hwsp4wI3 |
|---|---|
| Name | 1,5-Diazacycloeicosan-6-one, 5-(4-aminobutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.356263080 u |
| Formula | C22H45N3O |
| InChI | InChI=1S/C22H45N3O/c23-17-12-14-20-25-21-15-19-24-18-13-10-8-6-4-2-1-3-5-7-9-11-16-22(25)26/h24H,1-21,23H2 |
| InChIKey | HFLBDALPDBFHHL-UHFFFAOYSA-N |
| Molecular Weight | 367.622 g/mol |
| SMILES | C1(N(CCCNCCCCCCCCCCCCCC1)CCCCN)=O |