| SpectraBase Spectrum ID |
Ai73dOYDZXR |
| Name |
4'-Trifluoromethane-2-(4'-trifluoromethanebiphenyl-4-ylsulfonyl)biphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.077519905 u |
| Formula |
C26H16F6O2S |
| InChI |
InChI=1S/C26H16F6O2S/c27-25(28,29)20-11-5-17(6-12-20)18-9-15-22(16-10-18)35(33,34)24-4-2-1-3-23(24)19-7-13-21(14-8-19)26(30,31)32/h1-16H |
| InChIKey |
GJTRVPFUZMMVFS-UHFFFAOYSA-N |
| Molecular Weight |
506.462 g/mol |
| SMILES |
C=1(S(C2=CC=C(C=3C=CC(=CC3)C(F)(F)F)C=C2)(=O)=O)C(C=2C=CC(=CC2)C(F)(F)F)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923006 |
