| SpectraBase Spectrum ID |
9RzIuFzBro8 |
| Name |
3-[(Z)-2'-Iodo-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 |
413.002507017 u |
| Formula |
C18H12IN3O |
| InChI |
InChI=1S/C18H12IN3O/c19-14(10-13-6-2-1-3-7-13)12-22-17(11-20)21-16-9-5-4-8-15(16)18(22)23/h1-10H,12H2/b14-10- |
| InChIKey |
XZHLHINWNOKRKM-UVTDQMKNSA-N |
| Molecular Weight |
413.218 g/mol |
| SMILES |
C1(=NC2=C(C(N1C\C(=C\C1=CC=CC=C1)I)=O)C=CC=C2)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95348 |
![3-[(Z)-2'-Iodo-3'-phenylprop-2'-enyl]-3,4-dihydroquinazoline-2-carbonitrile](/api/spectrum/9RzIuFzBro8/structure.png?h=300&w=458 "3-[(Z)-2'-Iodo-3'-phenylprop-2'-enyl]-3,4-dihydroquinazoline-2-carbonitrile")
