| SpectraBase Compound ID | 8p5PID2SjpK |
|---|---|
| InChI | InChI=1S/C14H11N3O/c18-14-12-6-1-2-7-13(12)16-10-17(14)9-11-5-3-4-8-15-11/h1-8,10H,9H2 |
| InChIKey | IVVQZYXECXBAGY-UHFFFAOYSA-N |
| Mol Weight | 237.26 g/mol |
| Molecular Formula | C14H11N3O |
| Exact Mass | 237.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52tXAWccEXe |
|---|---|
| Name | 3-(Pyridin-2-ylmethyl)quinazolin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.090211985 u |
| Formula | C14H11N3O |
| InChI | InChI=1S/C14H11N3O/c18-14-12-6-1-2-7-13(12)16-10-17(14)9-11-5-3-4-8-15-11/h1-8,10H,9H2 |
| InChIKey | IVVQZYXECXBAGY-UHFFFAOYSA-N |
| Molecular Weight | 237.262 g/mol |
| SMILES | C1=CC=NC(=C1)CN1C(C2=CC=CC=C2N=C1)=O |