| SpectraBase Spectrum ID |
IZGyGOie6XO |
| Name |
2-(2',6'-Dimethoxybiphenylcarbonyl)phenyl trifluoromethanesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.069793924 u |
| Formula |
C22H17F3O6S |
| InChI |
InChI=1S/C22H17F3O6S/c1-29-18-12-7-13-19(30-2)20(18)14-8-3-4-9-15(14)21(26)16-10-5-6-11-17(16)31-32(27,28)22(23,24)25/h3-13H,1-2H3 |
| InChIKey |
BEXUMSNZDYDMRS-UHFFFAOYSA-N |
| Molecular Weight |
466.427 g/mol |
| SMILES |
C(S(OC=1C(C(C=2C(C=3C(OC)=CC=CC3OC)=CC=CC2)=O)=CC=CC1)(=O)=O)(F)(F)F |
