| SpectraBase Compound ID | Ad6ti1Ap5q |
|---|---|
| InChI | InChI=1S/C17H14N2O2/c1-12(20)10-13-6-8-14(9-7-13)19-11-18-16-5-3-2-4-15(16)17(19)21/h2-9,11H,10H2,1H3 |
| InChIKey | FTRRDOXDMPEQHR-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C17H14N2O2 |
| Exact Mass | 278.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqEmCXFn0gd |
|---|---|
| Name | 3-(4-(2-Oxopropyl)phenyl)quinazolin-4(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.105527697 u |
| Formula | C17H14N2O2 |
| InChI | InChI=1S/C17H14N2O2/c1-12(20)10-13-6-8-14(9-7-13)19-11-18-16-5-3-2-4-15(16)17(19)21/h2-9,11H,10H2,1H3 |
| InChIKey | FTRRDOXDMPEQHR-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)C(N(C1=CC=C(C=C1)CC(C)=O)C=N2)=O |