| SpectraBase Spectrum ID |
BCbItO8M0pd |
| Name |
3-(3-Chloro-4-fluorophenyl)-2-sulfanyl-4(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.002989922 u |
| Formula |
C14H8ClFN2OS |
| InChI |
InChI=1S/C14H8ClFN2OS/c15-10-7-8(5-6-11(10)16)18-13(19)9-3-1-2-4-12(9)17-14(18)20/h1-7H,(H,17,20) |
| InChIKey |
BCOXEAWOVMTZFB-UHFFFAOYSA-N |
| Molecular Weight |
306.742 g/mol |
| SMILES |
C=1(N(C(C=2C(N1)=CC=CC2)=O)C1=CC(Cl)=C(C=C1)F)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901501 |
