| SpectraBase Spectrum ID |
KpYhG0cKJJ |
| Name |
N-(2,2,2-Trifluoro-1-phenylethyl)-4-(trifluoromethylthio)-aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.051639510 u |
| Formula |
C15H11F6NS |
| InChI |
InChI=1S/C15H11F6NS/c16-14(17,18)13(10-4-2-1-3-5-10)22-11-6-8-12(9-7-11)23-15(19,20)21/h1-9,13,22H |
| InChIKey |
IQNWDALQHSYQES-UHFFFAOYSA-N |
| Molecular Weight |
351.310 g/mol |
| SMILES |
C(C(NC1=CC=C(SC(F)(F)F)C=C1)C=1C=CC=CC1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904944 |
