![4-Oxo-3-[(E)-3'-phenylprop-2'-enyl]-3,4-dihydroquinazoline-2-carbonitrile](/api/spectrum/35sc0eDT76S/structure.png?h=300&w=458 "4-Oxo-3-[(E)-3'-phenylprop-2'-enyl]-3,4-dihydroquinazoline-2-carbonitrile")
| SpectraBase Compound ID | FM5uPI0Vpeq |
|---|---|
| InChI | InChI=1S/C18H13N3O/c19-13-17-20-16-11-5-4-10-15(16)18(22)21(17)12-6-9-14-7-2-1-3-8-14/h1-11H,12H2/b9-6+ |
| InChIKey | PARBBJPMERCIRZ-RMKNXTFCSA-N |
| Mol Weight | 287.32 g/mol |
| Molecular Formula | C18H13N3O |
| Exact Mass | 287.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35sc0eDT76S |
|---|---|
| Name | 4-oxo-3-[(E)-3'-Phenylprop-2'-enyl]-3,4-dihydroquinazoline-2-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.105862050 u |
| Formula | C18H13N3O |
| InChI | InChI=1S/C18H13N3O/c19-13-17-20-16-11-5-4-10-15(16)18(22)21(17)12-6-9-14-7-2-1-3-8-14/h1-11H,12H2/b9-6+ |
| InChIKey | PARBBJPMERCIRZ-RMKNXTFCSA-N |
| SMILES | C1(N(C(=NC=2C=CC=CC12)C#N)C\C=C\C1=CC=CC=C1)=O |