| SpectraBase Compound ID | 1vhEl0arSBo |
|---|---|
| InChI | InChI=1S/C18H18S2/c1-15-9-3-5-11-17(15)19-13-7-8-14-20-18-12-6-4-10-16(18)2/h3-6,9-12H,13-14H2,1-2H3 |
| InChIKey | NIWCNGNFSSHVGS-UHFFFAOYSA-N |
| Mol Weight | 298.46 g/mol |
| Molecular Formula | C18H18S2 |
| Exact Mass | 298.084993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLzHAhvwWGg |
|---|---|
| Name | 1,4-bis(o-Tolylthio)-2-butyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.084992928 u |
| Formula | C18H18S2 |
| InChI | InChI=1S/C18H18S2/c1-15-9-3-5-11-17(15)19-13-7-8-14-20-18-12-6-4-10-16(18)2/h3-6,9-12H,13-14H2,1-2H3 |
| InChIKey | NIWCNGNFSSHVGS-UHFFFAOYSA-N |
| Molecular Weight | 298.462 g/mol |
| SMILES | C=1C(=C(C=CC1)C)SCC#CCSC=1C(=CC=CC1)C |