| SpectraBase Compound ID | 3tmRr37YjvP |
|---|---|
| InChI | InChI=1S/C19H39N3O/c1-22-18-12-17-21-16-11-15-20-14-10-8-6-4-2-3-5-7-9-13-19(22)23/h20-21H,2-18H2,1H3 |
| InChIKey | AQVDGFKOPSLAAF-UHFFFAOYSA-N |
| Mol Weight | 325.5 g/mol |
| Molecular Formula | C19H39N3O |
| Exact Mass | 325.309313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpfiRB80UQv |
|---|---|
| Name | 1,5,9-Triazacycloheneicosan-10-one, 9-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.309312887 u |
| Formula | C19H39N3O |
| InChI | InChI=1S/C19H39N3O/c1-22-18-12-17-21-16-11-15-20-14-10-8-6-4-2-3-5-7-9-13-19(22)23/h20-21H,2-18H2,1H3 |
| InChIKey | AQVDGFKOPSLAAF-UHFFFAOYSA-N |
| Molecular Weight | 325.541 g/mol |
| SMILES | C1(N(CCCNCCCNCCCCCCCCCCC1)C)=O |