| SpectraBase Spectrum ID |
7iVwx5iGIJR |
| Name |
2-Benzylsulfanyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.057612318 u |
| Formula |
C17H11FN2OS |
| InChI |
InChI=1S/C17H11FN2OS/c18-12-6-7-15-13(8-12)16(21)14(9-19)17(20-15)22-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,20,21) |
| InChIKey |
YGPKXURVSDHDNY-UHFFFAOYSA-N |
| Molecular Weight |
310.346 g/mol |
| SMILES |
C1=CC(=CC2=C1NC(SCC1=CC=CC=C1)=C(C2=O)C#N)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848671 |
