| SpectraBase Spectrum ID |
Q1BzZP51AE |
| Name |
2-(2,4-Dimethyl-6-oxo-3-bromopyridinyl)-4,4-diphenyl-3,4-dihydroquinazoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.094625339 u |
| Formula |
C27H22BrN3O |
| InChI |
InChI=1S/C27H22BrN3O/c1-17-23(26(32)29-18(2)24(17)28)25-30-22-16-10-9-15-21(22)27(31-25,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,1-2H3,(H,29,32)(H,30,31) |
| InChIKey |
REXLNQAIOIBWFM-UHFFFAOYSA-N |
| Molecular Weight |
484.397 g/mol |
| SMILES |
C1(C=2NC(C3=CC=CC=C3)(C3=CC=CC=C3)C=3C(N2)=CC=CC3)=C(C(Br)=C(NC1=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950016 |
