| SpectraBase Spectrum ID |
98Y6fXK1JCW |
| Name |
(1,3-Diphenylpropan-2-yl)(trifluoromethyl)sulfane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.084656146 u |
| Formula |
C16H15F3S |
| InChI |
InChI=1S/C16H15F3S/c17-16(18,19)20-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2 |
| InChIKey |
VOXDZJKPPCNKDG-UHFFFAOYSA-N |
| Molecular Weight |
296.351 g/mol |
| SMILES |
C(SC(F)(F)F)(CC1=CC=CC=C1)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832442 |
