| SpectraBase Spectrum ID |
BOqhWNW8pXJ |
| Name |
2-(p-Nitrophenyl)-4,5-diphenyl-1,6-dihydropyrimidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.132076797 u |
| Formula |
C22H17N3O2 |
| InChI |
InChI=1S/C22H17N3O2/c26-25(27)19-13-11-18(12-14-19)22-23-15-20(16-7-3-1-4-8-16)21(24-22)17-9-5-2-6-10-17/h1-14H,15H2,(H,23,24) |
| InChIKey |
FHXYJYQSHYTICG-UHFFFAOYSA-N |
| Molecular Weight |
355.397 g/mol |
| SMILES |
C1(=C(N=C(NC1)C1=CC=C(C=C1)[N+](=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817689 |
