SpectraBase Spectrum ID |
20rIIZgEKDv |
Name |
3,5-di-T-Butyl-2-(2'-isoquinolyl)phenyl trifluoromethanesulfonate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
465.158549361 u |
Formula |
C24H26F3NO3S |
InChI |
InChI=1S/C24H26F3NO3S/c1-22(2,3)16-13-18(23(4,5)6)20(19(14-16)31-32(29,30)24(25,26)27)21-17-10-8-7-9-15(17)11-12-28-21/h7-14H,1-6H3 |
InChIKey |
GOOIATDCUCKCCQ-UHFFFAOYSA-N |
Molecular Weight |
465.531 g/mol |
SMILES |
C(S(OC1=C(C(C(C)(C)C)=CC(=C1)C(C)(C)C)C=1C=2C(=CC=CC2)C=CN1)(=O)=O)(F)(F)F |