![1,4-bis[(p-Chlorophenyl)thio]-2-butyne](/api/spectrum/AM0G0ra0xqO/structure.png?h=300&w=458 "1,4-bis[(p-Chlorophenyl)thio]-2-butyne")
| SpectraBase Compound ID | GsvHsJGS1TW |
|---|---|
| InChI | InChI=1S/C16H12Cl2S2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,11-12H2 |
| InChIKey | CBAZYWYWVCKUOJ-UHFFFAOYSA-N |
| Mol Weight | 339.3 g/mol |
| Molecular Formula | C16H12Cl2S2 |
| Exact Mass | 337.975748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AM0G0ra0xqO |
|---|---|
| Name | 1,4-bis[(p-Chlorophenyl)thio]-2-butyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.975748134 u |
| Formula | C16H12Cl2S2 |
| InChI | InChI=1S/C16H12Cl2S2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,11-12H2 |
| InChIKey | CBAZYWYWVCKUOJ-UHFFFAOYSA-N |
| Molecular Weight | 339.298 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)SCC#CCSC=1C=CC(=CC1)Cl |