| SpectraBase Spectrum ID |
5m0iGWC3fDd |
| Name |
8,8-Dimethyl-1,9-diphenyl-10,11-dithiatricyclo[7.1.1.0(2,7)]undeca-2,4,6-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.100642992 u |
| Formula |
C23H20S2 |
| InChI |
InChI=1S/C23H20S2/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)24-23(21,25-22)18-13-7-4-8-14-18/h3-16H,1-2H3 |
| InChIKey |
YCDHBSHEWOAWDC-UHFFFAOYSA-N |
| Molecular Weight |
360.533 g/mol |
| SMILES |
C12(SC(S2)(C=2C=CC=CC2)C=2C(C1(C)C)=CC=CC2)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918005 |
![8,8-Dimethyl-1,9-diphenyl-10,11-dithiatricyclo[7.1.1.0(2,7)]undeca-2,4,6-triene](/api/spectrum/5m0iGWC3fDd/structure.png?h=300&w=458 "8,8-Dimethyl-1,9-diphenyl-10,11-dithiatricyclo[7.1.1.0(2,7)]undeca-2,4,6-triene")
