| SpectraBase Spectrum ID |
D99VKgvQtDB |
| Name |
Benzene, [(3,3,5,5-tetramethylcyclohex-1-en-1-yl)thio]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.144221882 u |
| Formula |
C16H22S |
| InChI |
InChI=1S/C16H22S/c1-15(2)10-14(11-16(3,4)12-15)17-13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3 |
| InChIKey |
SXEYGOARURZKKU-UHFFFAOYSA-N |
| Molecular Weight |
246.412 g/mol |
| SMILES |
C1(=CC(CC(C1)(C)C)(C)C)SC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833331 |
![Benzene, [(3,3,5,5-tetramethylcyclohex-1-en-1-yl)thio]-](/api/spectrum/D99VKgvQtDB/structure.png?h=300&w=458 "Benzene, [(3,3,5,5-tetramethylcyclohex-1-en-1-yl)thio]-")
