| SpectraBase Spectrum ID |
3KEAsJgbj08 |
| Name |
[(E)-1-Methyl-2-(phenylsulfanyl)ethenyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.081621625 u |
| Formula |
C15H14S |
| InChI |
InChI=1S/C15H14S/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2-12H,1H3/b13-12+ |
| InChIKey |
BIMJADRGUBKMBD-OUKQBFOZSA-N |
| Molecular Weight |
226.337 g/mol |
| SMILES |
C=1(\C(=C\SC2=CC=CC=C2)C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818974 |
![[(E)-1-methyl-2-(phenylsulfanyl)ethenyl]benzene](/api/spectrum/3KEAsJgbj08/structure.png?h=300&w=458 "[(E)-1-methyl-2-(phenylsulfanyl)ethenyl]benzene")
