![1-(Methylthio)-2-[2-[2-(methylthio)phenyl]ethynyl]benzene](/api/spectrum/d3fx9EEou6/structure.png?h=300&w=458 "1-(Methylthio)-2-[2-[2-(methylthio)phenyl]ethynyl]benzene")
| SpectraBase Compound ID | 9DE1RCmplTd |
|---|---|
| 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 |
| Mol Weight | 270.41 g/mol |
| Molecular Formula | C16H14S2 |
| Exact Mass | 270.053693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | d3fx9EEou6 |
|---|---|
| Name | 1-(Methylthio)-2-[2-[2-(methylthio)phenyl]ethynyl]benzene |
| Comments | Computed using HOSE algorithm |
| 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 |