| SpectraBase Spectrum ID |
JgNSRwm5omS |
| Name |
1,1,1-Trifluoro-3-phenyl-2-phenylsulfonyl-2-butene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.058835320 u |
| Formula |
C16H13F3O2S |
| InChI |
InChI=1S/C16H13F3O2S/c1-12(13-8-4-2-5-9-13)15(16(17,18)19)22(20,21)14-10-6-3-7-11-14/h2-11H,1H3/b15-12+ |
| InChIKey |
ORYHFOHIZPMOGB-NTCAYCPXSA-N |
| Molecular Weight |
326.333 g/mol |
| SMILES |
C=1(S(\C(C(F)(F)F)=C/(C2=CC=CC=C2)C)(=O)=O)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893615 |
