| SpectraBase Spectrum ID |
9ShcJm8i6Hb |
| Name |
2-[(p-Chlorophenyl)thio]-3',5'-dimethyl-4-fluoroacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.043792107 u |
| Formula |
C16H14ClFOS |
| InChI |
InChI=1S/C16H14ClFOS/c1-10-7-12(8-11(2)16(10)18)15(19)9-20-14-5-3-13(17)4-6-14/h3-8H,9H2,1-2H3 |
| InChIKey |
HYVWOXIGHLHKEJ-UHFFFAOYSA-N |
| Molecular Weight |
308.798 g/mol |
| SMILES |
C=1C(=CC(=C(C1C)F)C)C(CSC=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.793816 |
![2-[(p-Chlorophenyl)thio]-3',5'-dimethyl-4-fluoroacetophenone](/api/spectrum/9ShcJm8i6Hb/structure.png?h=300&w=458 "2-[(p-Chlorophenyl)thio]-3',5'-dimethyl-4-fluoroacetophenone")
