| SpectraBase Spectrum ID |
2LepM5CaimQ |
| Name |
1-[1'-(Methylthio)-2',6'-dithiacyclohex-2'-yl]-8-(2'',2'',6''-trimethylcyclohex-1''-enyl)-2,6-trimethylacta-1,3,5,7-tetraene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.197914681 u |
| Formula |
C24H36S3 |
| InChI |
InChI=1S/C24H36S3/c1-19(13-14-22-21(3)12-8-15-23(22,4)5)10-7-11-20(2)18-24(25-6)26-16-9-17-27-24/h7,10-11,13-14,18H,8-9,12,15-17H2,1-6H3/b11-7+,14-13+,19-10+,20-18+ |
| InChIKey |
SSIUEQQLYTZXEO-LGTNHNOTSA-N |
| Molecular Weight |
420.732 g/mol |
| SMILES |
C1(\C=C\(\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)(SCCCS1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948857 |
![1-[1'-(Methylthio)-2',6'-dithiacyclohex-2'-yl]-8-(2'',2'',6''-trimethylcyclohex-1''-enyl)-2,6-trimethylacta-1,3,5,7-tetraene](/api/spectrum/2LepM5CaimQ/structure.png?h=300&w=458 "1-[1'-(Methylthio)-2',6'-dithiacyclohex-2'-yl]-8-(2'',2'',6''-trimethylcyclohex-1''-enyl)-2,6-trimethylacta-1,3,5,7-tetraene")
