| SpectraBase Spectrum ID |
DI1sQt6A5Qg |
| Name |
[[4-Methyl-1-methylene-2-(1-methylethenyl)-3-pentenyl]thio]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.128571818 u |
| Formula |
C16H20S |
| InChI |
InChI=1S/C16H20S/c1-12(2)11-16(13(3)4)14(5)17-15-9-7-6-8-10-15/h6-11,16H,3,5H2,1-2,4H3 |
| InChIKey |
LYFFQBFFBKNDFF-UHFFFAOYSA-N |
| Molecular Weight |
244.396 g/mol |
| SMILES |
C(C(C=C(C)C)C(=C)C)(SC1=CC=CC=C1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83673 |
![[[4-Methyl-1-methylene-2-(1-methylethenyl)-3-pentenyl]thio]benzene](/api/spectrum/DI1sQt6A5Qg/structure.png?h=300&w=458 "[[4-Methyl-1-methylene-2-(1-methylethenyl)-3-pentenyl]thio]benzene")
