| SpectraBase Compound ID | GuYnvXPWJFq |
|---|---|
| InChI | InChI=1S/C17H12N2O2/c1-2-12-18-15-11-7-6-10-14(15)16(20)19(17(18)21)13-8-4-3-5-9-13/h1,3-11H,12H2 |
| InChIKey | WBAQQZVQKOZIBE-UHFFFAOYSA-N |
| Mol Weight | 276.29 g/mol |
| Molecular Formula | C17H12N2O2 |
| Exact Mass | 276.089878 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 | QohW4iiHQF |
|---|---|
| Name | 3-Phenyl-1-(2-propynyl)-2,4(1H,3H)-quinazolinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.089877632 u |
| Formula | C17H12N2O2 |
| InChI | InChI=1S/C17H12N2O2/c1-2-12-18-15-11-7-6-10-14(15)16(20)19(17(18)21)13-8-4-3-5-9-13/h1,3-11H,12H2 |
| InChIKey | WBAQQZVQKOZIBE-UHFFFAOYSA-N |
| Molecular Weight | 276.295 g/mol |
| SMILES | C=1C=CC(N2C(N(CC#C)C3=C(C2=O)C=CC=C3)=O)=CC1 |