| SpectraBase Compound ID | C2ESY2JUtER |
|---|---|
| InChI | InChI=1S/C16H19N3O2/c20-15(18-9-5-1-2-6-10-18)11-19-12-17-14-8-4-3-7-13(14)16(19)21/h3-4,7-8,12H,1-2,5-6,9-11H2 |
| InChIKey | WVYDFKFWYKXVDH-UHFFFAOYSA-N |
| Mol Weight | 285.35 g/mol |
| Molecular Formula | C16H19N3O2 |
| Exact Mass | 285.147727 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 | IzDtcGixk3k |
|---|---|
| Name | 3-(2-Azepan-1-yl-2-oxoethyl)-3H-quinazolin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.147726862 u |
| Formula | C16H19N3O2 |
| InChI | InChI=1S/C16H19N3O2/c20-15(18-9-5-1-2-6-10-18)11-19-12-17-14-8-4-3-7-13(14)16(19)21/h3-4,7-8,12H,1-2,5-6,9-11H2 |
| InChIKey | WVYDFKFWYKXVDH-UHFFFAOYSA-N |
| SMILES | C12=C(N=CN(C2=O)CC(N2CCCCCC2)=O)C=CC=C1 |