| SpectraBase Spectrum ID |
IUFwyAr6aym |
| Name |
1-(Benzylthio)-4-(trifluoromethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.053356017 u |
| Formula |
C14H11F3S |
| InChI |
InChI=1S/C14H11F3S/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey |
GZRAXWKQMHUSCT-UHFFFAOYSA-N |
| Molecular Weight |
268.297 g/mol |
| SMILES |
C=1(SCC=2C=CC=CC2)C=CC(=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871139 |
