| SpectraBase Spectrum ID |
49MZxQKBSQd |
| Name |
3-(3-Chloro-4-fluorophenyl)-2-(methylsulfanyl)-4(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.018639986 u |
| Formula |
C15H10ClFN2OS |
| InChI |
InChI=1S/C15H10ClFN2OS/c1-21-15-18-13-5-3-2-4-10(13)14(20)19(15)9-6-7-12(17)11(16)8-9/h2-8H,1H3 |
| InChIKey |
IUJLIGNSDSVYRU-UHFFFAOYSA-N |
| Molecular Weight |
320.769 g/mol |
| SMILES |
C=1(N(C(C=2C(N1)=CC=CC2)=O)C1=CC(Cl)=C(C=C1)F)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912138 |
