| SpectraBase Spectrum ID |
DVqjWs3yNye |
| Name |
3-[2-(2,4-Dichlorophenyl)-2-oxoethyl]quinazolin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.011932968 u |
| Formula |
C16H10Cl2N2O2 |
| InChI |
InChI=1S/C16H10Cl2N2O2/c17-10-5-6-11(13(18)7-10)15(21)8-20-9-19-14-4-2-1-3-12(14)16(20)22/h1-7,9H,8H2 |
| InChIKey |
YHHYTAPYWAPOPT-UHFFFAOYSA-N |
| Molecular Weight |
333.174 g/mol |
| SMILES |
C=1C=CC=2C(N(C=NC2C1)CC(C1=C(C=C(C=C1)Cl)Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965185 |
![3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4(3H)-one](/api/spectrum/DVqjWs3yNye/structure.png?h=300&w=458 "3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4(3H)-one")
