| SpectraBase Spectrum ID |
EjxWwfLDt76 |
| Name |
3-Butyl-2-(2,4-dichlorophenyl)-2,3-dihydroquinazolin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.079618607 u |
| Formula |
C18H18Cl2N2O |
| InChI |
InChI=1S/C18H18Cl2N2O/c1-2-3-10-22-17(13-9-8-12(19)11-15(13)20)21-16-7-5-4-6-14(16)18(22)23/h4-9,11,17,21H,2-3,10H2,1H3 |
| InChIKey |
UNEMXVOUAJFINQ-UHFFFAOYSA-N |
| Molecular Weight |
349.261 g/mol |
| SMILES |
C1(N(C(=O)C2=C(N1)C=CC=C2)CCCC)C=1C(=CC(=CC1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810805 |
