| SpectraBase Spectrum ID |
J7ElupZGCLy |
| Name |
6-[(4'-Fluorophenyl)amino]quinazolino[3,4-A]pyrimidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.128074662 u |
| Formula |
C24H15FN4 |
| InChI |
InChI=1S/C24H15FN4/c25-16-11-13-17(14-12-16)26-24-28-19-8-2-1-7-18(19)23-27-20-9-3-5-15-6-4-10-21(22(15)20)29(23)24/h1-14H,(H,26,28) |
| InChIKey |
QCMVHPYLKOWNGL-UHFFFAOYSA-N |
| Molecular Weight |
378.410 g/mol |
| SMILES |
C1=2N(C=3C4=C(N2)C=CC=C4C=CC3)C(=NC=2C=CC=CC12)NC1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899615 |