| SpectraBase Spectrum ID |
IsXxy7vjYQY |
| Name |
1-Propanone, 2-methyl-1-(4-methylphenyl)-2-[(4-methylphenyl)thio]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.123486437 u |
| Formula |
C18H20OS |
| InChI |
InChI=1S/C18H20OS/c1-13-5-9-15(10-6-13)17(19)18(3,4)20-16-11-7-14(2)8-12-16/h5-12H,1-4H3 |
| InChIKey |
HTGYXRNARYASQR-UHFFFAOYSA-N |
| SMILES |
C(C(C=1C=CC(=CC1)C)=O)(SC=1C=CC(=CC1)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857218 |
![1-Propanone, 2-methyl-1-(4-methylphenyl)-2-[(4-methylphenyl)thio]-](/api/spectrum/IsXxy7vjYQY/structure.png?h=300&w=458 "1-Propanone, 2-methyl-1-(4-methylphenyl)-2-[(4-methylphenyl)thio]-")
