| SpectraBase Spectrum ID |
17niJdkmjU7 |
| Name |
4,4-Diphenyl-2-(2,4-dimethyl-3-bromo-6-oxopyridin-5-yl)benzoxazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.078640922 u |
| Formula |
C27H21BrN2O2 |
| InChI |
InChI=1S/C27H21BrN2O2/c1-17-23(25(31)29-18(2)24(17)28)26-30-22-16-10-9-15-21(22)27(32-26,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,1-2H3,(H,29,31) |
| InChIKey |
ZYOPUCKBNXUSME-UHFFFAOYSA-N |
| Molecular Weight |
485.381 g/mol |
| SMILES |
C1(C=2OC(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) |
0.913797 |
