| SpectraBase Compound ID | I3KJHAdXtTG |
|---|---|
| InChI | InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21) |
| InChIKey | QTABKBZRAZXDQK-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C18H18N2O |
| Exact Mass | 278.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19bjHKiqDX1 |
|---|---|
| Name | 2-(4-Tert-butylphenyl)-4(1H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.141913207 u |
| Formula | C18H18N2O |
| InChI | InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21) |
| InChIKey | QTABKBZRAZXDQK-UHFFFAOYSA-N |
| Molecular Weight | 278.355 g/mol |
| SMILES | C=1(NC2=C(C(N1)=O)C=CC=C2)C1=CC=C(C=C1)C(C)(C)C |