| SpectraBase Spectrum ID |
4KqkK1mi3Dh |
| Name |
Trans-2,7-bis[2-(trifluoromethyl)phenyl]-10B,10C-dimethyl-10B,10C-dihydropyrene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.162569686 u |
| Formula |
C32H22F6 |
| InChI |
InChI=1S/C32H22F6/c1-29-21-11-13-23-17-20(26-8-4-6-10-28(26)32(36,37)38)18-24(30(23,29)2)14-12-22(29)16-19(15-21)25-7-3-5-9-27(25)31(33,34)35/h3-18H,1-2H3 |
| InChIKey |
KCWVKUAMDWHQEB-UHFFFAOYSA-N |
| Molecular Weight |
520.518 g/mol |
| SMILES |
C12(C3(C4=CC(=CC3=CC=C1C=C(C=1C(C(F)(F)F)=CC=CC1)C=C2C=C4)C=1C(C(F)(F)F)=CC=CC1)C)C |
![trans-2,7-Bis[2-(trifluoromethyl)phenyl]-10b,10c-dimethyl-10b,10c-dihydropyrene](/api/spectrum/4KqkK1mi3Dh/structure.png?h=300&w=458 "trans-2,7-Bis[2-(trifluoromethyl)phenyl]-10b,10c-dimethyl-10b,10c-dihydropyrene")
