| SpectraBase Spectrum ID |
1SzqqFt57ww |
| Name |
8,8-Dimethyl-5,8,9,11-tetrahydro-7H-6,10-dithiabenzocyclononene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.084992928 u |
| Formula |
C13H18S2 |
| InChI |
InChI=1S/C13H18S2/c1-13(2)9-14-7-11-5-3-4-6-12(11)8-15-10-13/h3-6H,7-10H2,1-2H3 |
| InChIKey |
FJSMIWCSKLZHCC-UHFFFAOYSA-N |
| Molecular Weight |
238.407 g/mol |
| SMILES |
C1=C2CSCC(C)(CSCC2=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878596 |
