| SpectraBase Compound ID | 7N7YuSpykMb |
|---|---|
| InChI | InChI=1S/C15H11N3O/c16-9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8,14,17H,(H,18,19) |
| InChIKey | ZHVFWULFBNJVQA-UHFFFAOYSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C15H11N3O |
| Exact Mass | 249.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXFx8bEtrEt |
|---|---|
| Name | Benzonitrile, 4-(1,2,3,4-tetrahydro-4-oxo-2-quinazolinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.090211985 u |
| Formula | C15H11N3O |
| InChI | InChI=1S/C15H11N3O/c16-9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8,14,17H,(H,18,19) |
| InChIKey | ZHVFWULFBNJVQA-UHFFFAOYSA-N |
| Molecular Weight | 249.273 g/mol |
| SMILES | C1=CC=CC2=C1C(NC(C1=CC=C(C=C1)C#N)N2)=O |