| SpectraBase Spectrum ID |
HbHyifMiK0O |
| Name |
5-[(Z)-2-(Phenylsulfanyl)ethenyl]-1,3-benzodioxole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.055800798 u |
| Formula |
C15H12O2S |
| InChI |
InChI=1S/C15H12O2S/c1-2-4-13(5-3-1)18-9-8-12-6-7-14-15(10-12)17-11-16-14/h1-10H,11H2/b9-8- |
| InChIKey |
GKNDQGXBKYMHRI-HJWRWDBZSA-N |
| Molecular Weight |
256.319 g/mol |
| SMILES |
C=12C(OCO2)=CC=C(\C=C/SC=2C=CC=CC2)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961242 |
![5-[(Z)-2-(phenylsulfanyl)ethenyl]-1,3-benzodioxole](/api/spectrum/HbHyifMiK0O/structure.png?h=300&w=458 "5-[(Z)-2-(phenylsulfanyl)ethenyl]-1,3-benzodioxole")
