| SpectraBase Compound ID | 8o66F8TR4K0 |
|---|---|
| InChI | InChI=1S/C13H19N3O/c17-13(12-4-2-1-3-5-12)16-10-8-14-6-7-15-9-11-16/h1-5,14-15H,6-11H2 |
| InChIKey | LOWBXBZYLSZZSH-UHFFFAOYSA-N |
| Mol Weight | 233.31 g/mol |
| Molecular Formula | C13H19N3O |
| Exact Mass | 233.152812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1JK5QGRMSjc |
|---|---|
| Name | 1,4,7-Triazacyclononane, 1-benzoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.152812243 u |
| Formula | C13H19N3O |
| InChI | InChI=1S/C13H19N3O/c17-13(12-4-2-1-3-5-12)16-10-8-14-6-7-15-9-11-16/h1-5,14-15H,6-11H2 |
| InChIKey | LOWBXBZYLSZZSH-UHFFFAOYSA-N |
| Molecular Weight | 233.315 g/mol |
| SMILES | C1NCCN(CCNC1)C(=O)C1=CC=CC=C1 |