| SpectraBase Spectrum ID |
F7LG88O8oQt |
| Name |
2-Propanone, 3-phenyl-1,1-bis(phenylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.079907547 u |
| Formula |
C21H18OS2 |
| InChI |
InChI=1S/C21H18OS2/c22-20(16-17-10-4-1-5-11-17)21(23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15,21H,16H2 |
| InChIKey |
XPAWYIGYJZAEEG-UHFFFAOYSA-N |
| Molecular Weight |
350.494 g/mol |
| SMILES |
C(C(CC=1C=CC=CC1)=O)(SC=1C=CC=CC1)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885209 |
