| SpectraBase Spectrum ID |
f38b2KR6at |
| Name |
2-(2,2-Diphenyl-2-hydroxy-1-methylethyl)-3-[2-(1-naphthalene)propionylamino)quinazolin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
553.236541867 u |
| Formula |
C36H31N3O3 |
| InChI |
InChI=1S/C36H31N3O3/c1-24(29-22-13-15-26-14-9-10-20-30(26)29)34(40)38-39-33(37-32-23-12-11-21-31(32)35(39)41)25(2)36(42,27-16-5-3-6-17-27)28-18-7-4-8-19-28/h3-25,42H,1-2H3,(H,38,40) |
| InChIKey |
CTWAESOBUAKINJ-UHFFFAOYSA-N |
| Molecular Weight |
553.662 g/mol |
| SMILES |
C=1(N(C(C=2C(N1)=CC=CC2)=O)NC(C(C=1C=2C(=CC=CC2)C=CC1)C)=O)C(C(C1=CC=CC=C1)(C1=CC=CC=C1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865796 |
