![2-[(1E,7E)-8-(2-thienyl)octa-1,7-dien-3,5-diynyl]thiophene](/api/spectrum/6NOoCPyxYIO/structure.png?h=300&w=458 "2-[(1E,7E)-8-(2-thienyl)octa-1,7-dien-3,5-diynyl]thiophene")
| SpectraBase Compound ID | KJrA7OQSP1U |
|---|---|
| InChI | InChI=1S/C16H10S2/c1(3-5-9-15-11-7-13-17-15)2-4-6-10-16-12-8-14-18-16/h5-14H/b9-5+,10-6+ |
| InChIKey | QUWBQETYXXPNHY-NXZHAISVSA-N |
| Mol Weight | 266.38 g/mol |
| Molecular Formula | C16H10S2 |
| Exact Mass | 266.022393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NOoCPyxYIO |
|---|---|
| Name | 2-[(1E,7E)-8-(2-Thienyl)octa-1,7-dien-3,5-diynyl]thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.022392670 u |
| Formula | C16H10S2 |
| InChI | InChI=1S/C16H10S2/c1(3-5-9-15-11-7-13-17-15)2-4-6-10-16-12-8-14-18-16/h5-14H/b9-5+,10-6+ |
| InChIKey | QUWBQETYXXPNHY-NXZHAISVSA-N |
| SMILES | C(C#C\C=C\C=1SC=CC1)#C\C=C\C=1SC=CC1 |