| SpectraBase Spectrum ID |
FQ2nCyVaId5 |
| Name |
4-oxo-3-[(E)-3'-Phenylprop-2'-enyl]-3,4-dihydroquinazoline-2-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944621 |
![4-Oxo-3-[(E)-3'-phenylprop-2'-enyl]-3,4-dihydroquinazoline-2-carbonitrile](/api/spectrum/FQ2nCyVaId5/structure.png?h=300&w=458 "4-Oxo-3-[(E)-3'-phenylprop-2'-enyl]-3,4-dihydroquinazoline-2-carbonitrile")
