SpectraBase Spectrum ID |
4Zb0hSvBpbu |
Name |
1-(4-Trifluoromethylphenyl)imidazoline-2-thione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.028203896 u |
Formula |
C10H7F3N2S |
InChI |
InChI=1S/C10H7F3N2S/c11-10(12,13)7-1-3-8(4-2-7)15-6-5-14-9(15)16/h1-6H,(H,14,16) |
InChIKey |
GEUKXLKPQGIDDE-UHFFFAOYSA-N |
Molecular Weight |
244.235 g/mol |
SMILES |
C1=CC(=CC=C1N1C=CNC1=S)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938098 |