| SpectraBase Compound ID | E1YfDvWlHuR |
|---|---|
| InChI | InChI=1S/C12H10N4O/c1-15-11(6-7-14-15)16-8-13-10-5-3-2-4-9(10)12(16)17/h2-8H,1H3 |
| InChIKey | MMQOWKLWRQUTBY-UHFFFAOYSA-N |
| Mol Weight | 226.24 g/mol |
| Molecular Formula | C12H10N4O |
| Exact Mass | 226.085461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Lr3gzNAAyA |
|---|---|
| Name | 4(3H)-Quinazolinone, 3-(1-methylpyrazol-5-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.085460957 u |
| Formula | C12H10N4O |
| InChI | InChI=1S/C12H10N4O/c1-15-11(6-7-14-15)16-8-13-10-5-3-2-4-9(10)12(16)17/h2-8H,1H3 |
| InChIKey | MMQOWKLWRQUTBY-UHFFFAOYSA-N |
| Molecular Weight | 226.239 g/mol |
| SMILES | CN1C(=CC=N1)N1C(=O)C2=CC=CC=C2N=C1 |