| SpectraBase Spectrum ID |
7XEHzOrohHK |
| Name |
1-Pentanethione, 2,2-dimethyl-1,5-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.144221882 u |
| Formula |
C19H22S |
| InChI |
InChI=1S/C19H22S/c1-19(2,18(20)17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,9,12,15H2,1-2H3 |
| InChIKey |
MCTNEBBFENKGQE-UHFFFAOYSA-N |
| SMILES |
C(C(CCCC1=CC=CC=C1)(C)C)(=S)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973032 |
