| SpectraBase Compound ID | 59xGXlF4QbF |
|---|---|
| InChI | InChI=1S/C17H13N3O2/c21-20(22)13-7-1-6-12(10-13)17-18-14-8-2-4-11-5-3-9-15(19-17)16(11)14/h1-10,17-19H |
| InChIKey | BSUMEMPNPZHKGT-UHFFFAOYSA-N |
| Mol Weight | 291.31 g/mol |
| Molecular Formula | C17H13N3O2 |
| Exact Mass | 291.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5Uf9mQF6kT1 |
|---|---|
| Name | 2-(3-Nitrophenyl)-2,3-dihydro-1H-perimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.100776669 u |
| Formula | C17H13N3O2 |
| InChI | InChI=1S/C17H13N3O2/c21-20(22)13-7-1-6-12(10-13)17-18-14-8-2-4-11-5-3-9-15(19-17)16(11)14/h1-10,17-19H |
| InChIKey | BSUMEMPNPZHKGT-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC(=CC=C1)C1NC2=C3C(=CC=C2)C=CC=C3N1 |