| SpectraBase Compound ID | 5a3zDTmKsiP |
|---|---|
| InChI | InChI=1S/C13H16N2O/c1-9(2)8-15-10(3)14-12-7-5-4-6-11(12)13(15)16/h4-7,9H,8H2,1-3H3 |
| InChIKey | HQWFXVQOKBUOMM-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C13H16N2O |
| Exact Mass | 216.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnWEdtnpurl |
|---|---|
| Name | 3-Isobutyl-2-methyl-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.126263142 u |
| Formula | C13H16N2O |
| InChI | InChI=1S/C13H16N2O/c1-9(2)8-15-10(3)14-12-7-5-4-6-11(12)13(15)16/h4-7,9H,8H2,1-3H3 |
| InChIKey | HQWFXVQOKBUOMM-UHFFFAOYSA-N |
| Molecular Weight | 216.284 g/mol |
| SMILES | C1=CC=2N=C(N(C(C2C=C1)=O)CC(C)C)C |