| SpectraBase Spectrum ID |
KMDdnR6zVxZ |
| Name |
o-Ethyl S-{2-[(4-fluorophenyl)amino]-2-oxoethyl} dithiocarbonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.029349139 u |
| Formula |
C11H12FNO2S2 |
| InChI |
InChI=1S/C11H12FNO2S2/c1-2-15-11(16)17-7-10(14)13-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,14) |
| InChIKey |
ZHRHLJSFVBCNML-UHFFFAOYSA-N |
| Molecular Weight |
273.340 g/mol |
| SMILES |
C(OCC)(SCC(=O)NC=1C=CC(=CC1)F)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948971 |
![o-Ethyl S-{2-[(4-fluorophenyl)amino]-2-oxoethyl} dithiocarbonate](/api/spectrum/KMDdnR6zVxZ/structure.png?h=300&w=458 "o-Ethyl S-{2-[(4-fluorophenyl)amino]-2-oxoethyl} dithiocarbonate")
