| SpectraBase Spectrum ID |
HtB3ivskeZT |
| Name |
1-Phenylsulfonyl-2-para-trifluoromethylphenyl-1-cyclobutene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.058835320 u |
| Formula |
C17H13F3O2S |
| InChI |
InChI=1S/C17H13F3O2S/c18-17(19,20)13-8-6-12(7-9-13)15-10-11-16(15)23(21,22)14-4-2-1-3-5-14/h1-9H,10-11H2 |
| InChIKey |
WGBTXGJEYONSOK-UHFFFAOYSA-N |
| Molecular Weight |
338.344 g/mol |
| SMILES |
C1(S(=O)(=O)C=2C=CC=CC2)=C(C2=CC=C(C(F)(F)F)C=C2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910827 |
