| SpectraBase Spectrum ID |
20FGbnhuECm |
| Name |
2-(2'-Ethoxybiphenylcarbonyl)phenyl trifluoromethanesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.074879305 u |
| Formula |
C22H17F3O5S |
| InChI |
InChI=1S/C22H17F3O5S/c1-2-29-19-13-7-5-10-16(19)15-9-3-4-11-17(15)21(26)18-12-6-8-14-20(18)30-31(27,28)22(23,24)25/h3-14H,2H2,1H3 |
| InChIKey |
IHHFPZSPHVTTBA-UHFFFAOYSA-N |
| Molecular Weight |
450.428 g/mol |
| SMILES |
C(S(OC=1C(C(C=2C(C=3C(OCC)=CC=CC3)=CC=CC2)=O)=CC=CC1)(=O)=O)(F)(F)F |
