| SpectraBase Spectrum ID |
pzR4BIBHoh |
| Name |
5,6-Dithiabicyclo[2.1.1]hexane, 2,2,3,3-tetramethyl-1,4-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.116293056 u |
| Formula |
C20H22S2 |
| InChI |
InChI=1S/C20H22S2/c1-17(2)18(3,4)20(16-13-9-6-10-14-16)21-19(17,22-20)15-11-7-5-8-12-15/h5-14H,1-4H3 |
| InChIKey |
GQJVOHMMCCPKSP-UHFFFAOYSA-N |
| Molecular Weight |
326.516 g/mol |
| SMILES |
C12(SC(S2)(C2=CC=CC=C2)C(C1(C)C)(C)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830781 |
![5,6-Dithiabicyclo[2.1.1]hexane, 2,2,3,3-tetramethyl-1,4-diphenyl-](/api/spectrum/pzR4BIBHoh/structure.png?h=300&w=458 "5,6-Dithiabicyclo[2.1.1]hexane, 2,2,3,3-tetramethyl-1,4-diphenyl-")
