| SpectraBase Spectrum ID |
AdqxSPYP1r |
| Name |
2-(3-Chlorophenyl)-6-iodanyl-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.999585842 u |
| Formula |
C21H16ClIN2O |
| InChI |
InChI=1S/C21H16ClIN2O/c1-13-4-2-7-17(10-13)25-20(14-5-3-6-15(22)11-14)24-19-9-8-16(23)12-18(19)21(25)26/h2-12,20,24H,1H3 |
| InChIKey |
ORZKSIFZPIQREN-UHFFFAOYSA-N |
| Molecular Weight |
474.729 g/mol |
| SMILES |
C12=C(C=C(C=C2)I)C(N(C(N1)C1=CC=CC(=C1)Cl)C1=CC(=CC=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876668 |
