| SpectraBase Spectrum ID |
E9dEHfIkA5M |
| Name |
4'-Trifluoromethyl-alpha,alpha-difluoro-alpha-(methylthio)-acetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.013776833 u |
| Formula |
C10H7F5OS |
| InChI |
InChI=1S/C10H7F5OS/c1-17-10(14,15)8(16)6-2-4-7(5-3-6)9(11,12)13/h2-5H,1H3 |
| InChIKey |
VLRWWXJOWTVSQK-UHFFFAOYSA-N |
| Molecular Weight |
270.217 g/mol |
| SMILES |
C(F)(C1=CC=C(C(=O)C(F)(F)SC)C=C1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964355 |
