| SpectraBase Spectrum ID |
3hu4CppD9RS |
| Name |
3-(Ethylthio)-6-fluoroquinoxalin-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.041962254 u |
| Formula |
C10H9FN2OS |
| InChI |
InChI=1S/C10H9FN2OS/c1-2-15-10-9(14)12-7-4-3-6(11)5-8(7)13-10/h3-5H,2H2,1H3,(H,12,14) |
| InChIKey |
OSLSKYMRRFPZOB-UHFFFAOYSA-N |
| Molecular Weight |
224.253 g/mol |
| SMILES |
C1(=O)C(SCC)=NC2=CC(F)=CC=C2N1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928315 |
