| SpectraBase Compound ID | CnAdPhfHVyS |
|---|---|
| InChI | InChI=1S/C12H6S2/c1(5-11-7-3-9-13-11)2-6-12-8-4-10-14-12/h3-4,7-10H |
| InChIKey | RMTLWKDMYIJGQF-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H6S2 |
| Exact Mass | 213.991093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7D6xJMC5qSv |
|---|---|
| Name | 1,4-di(2-Thienyl)-buta-1,3-diyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.991092541 u |
| Formula | C12H6S2 |
| InChI | InChI=1S/C12H6S2/c1(5-11-7-3-9-13-11)2-6-12-8-4-10-14-12/h3-4,7-10H |
| InChIKey | RMTLWKDMYIJGQF-UHFFFAOYSA-N |
| Molecular Weight | 214.300 g/mol |
| SMILES | C(#CC#CC1=CC=CS1)C1=CC=CS1 |