| SpectraBase Spectrum ID |
vmOnz0G7zD |
| Name |
2-(4'-Methylbiphenyl-4-ylsulfonyl)-4'-(trifluoromethane)biphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.105785513 u |
| Formula |
C26H19F3O2S |
| InChI |
InChI=1S/C26H19F3O2S/c1-18-6-8-19(9-7-18)20-12-16-23(17-13-20)32(30,31)25-5-3-2-4-24(25)21-10-14-22(15-11-21)26(27,28)29/h2-17H,1H3 |
| InChIKey |
USJVOGOVUHUCRT-UHFFFAOYSA-N |
| Molecular Weight |
452.491 g/mol |
| SMILES |
C=1(C(=CC=CC1)S(C=1C=CC(=CC1)C=1C=CC(=CC1)C)(=O)=O)C1=CC=C(C=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846886 |
