SpectraBase Spectrum ID |
7wFZFhdjFvB |
Name |
2-(2,4-Dichloro-phenyl)-5-fluoro-3,4-dihydro-quinazoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.012681861 u |
Formula |
C14H9Cl2FN2 |
InChI |
InChI=1S/C14H9Cl2FN2/c15-8-4-5-9(11(16)6-8)14-18-7-10-12(17)2-1-3-13(10)19-14/h1-6H,7H2,(H,18,19) |
InChIKey |
ZDDDVDFQDJXCCR-UHFFFAOYSA-N |
Molecular Weight |
295.144 g/mol |
SMILES |
C1(=NC2=CC=CC(=C2CN1)F)C1=C(C=C(C=C1)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912805 |