| SpectraBase Compound ID | BEUVD4FL5uk |
|---|---|
| InChI | InChI=1S/C14H15N3O/c1-2-3-6-9-17-13(10-15)16-12-8-5-4-7-11(12)14(17)18/h4-5,7-8H,2-3,6,9H2,1H3 |
| InChIKey | PRCMYTBXLBRBGQ-UHFFFAOYSA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C14H15N3O |
| Exact Mass | 241.121512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7x3yr6FWelp |
|---|---|
| Name | 3-Amyl-4-keto-quinazoline-2-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.121512114 u |
| Formula | C14H15N3O |
| InChI | InChI=1S/C14H15N3O/c1-2-3-6-9-17-13(10-15)16-12-8-5-4-7-11(12)14(17)18/h4-5,7-8H,2-3,6,9H2,1H3 |
| InChIKey | PRCMYTBXLBRBGQ-UHFFFAOYSA-N |
| Molecular Weight | 241.294 g/mol |
| SMILES | C1(N(C(=NC=2C=CC=CC12)C#N)CCCCC)=O |