SpectraBase Spectrum ID |
88KbmLyfO40 |
Name |
2-Phenyl-2-(phenylthio)acetophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.092186308 u |
Formula |
C20H16OS |
InChI |
InChI=1S/C20H16OS/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,20H |
InChIKey |
PDHFQNIQVRIEFF-UHFFFAOYSA-N |
Molecular Weight |
304.407 g/mol |
SMILES |
C=1C(=CC=CC1)C(C(SC=1C=CC=CC1)C=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Raman) |
0.991091 |