| SpectraBase Spectrum ID |
2QdT9ux70tF |
| Name |
1-(Methylthio)-2-[2-[2-(methylthio)phenyl]ethynyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.053692799 u |
| Formula |
C16H14S2 |
| InChI |
InChI=1S/C16H14S2/c1-17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)18-2/h3-10H,1-2H3 |
| InChIKey |
BTZDMIATSZMFRR-UHFFFAOYSA-N |
| Molecular Weight |
270.408 g/mol |
| SMILES |
C(#CC=1C(=CC=CC1)SC)C=1C(=CC=CC1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811205 |
![1-(Methylthio)-2-[2-[2-(methylthio)phenyl]ethynyl]benzene](/api/spectrum/2QdT9ux70tF/structure.png?h=300&w=458 "1-(Methylthio)-2-[2-[2-(methylthio)phenyl]ethynyl]benzene")
