![2-(2-Thienyl)-5-[5-(1-oxohexyl)-2-thienyl]thiophene](/api/spectrum/Fkc8p7eIWzd/structure.png?h=300&w=458 "2-(2-Thienyl)-5-[5-(1-oxohexyl)-2-thienyl]thiophene")
| SpectraBase Compound ID | 2d3DfVbHQfE |
|---|---|
| InChI | InChI=1S/C18H18OS3/c1-2-3-4-6-13(19)14-8-9-17(21-14)18-11-10-16(22-18)15-7-5-12-20-15/h5,7-12H,2-4,6H2,1H3 |
| InChIKey | CPZOFTMOBKHNAU-UHFFFAOYSA-N |
| Mol Weight | 346.52 g/mol |
| Molecular Formula | C18H18OS3 |
| Exact Mass | 346.051979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fkc8p7eIWzd |
|---|---|
| Name | 2-(2-Thienyl)-5-[5-(1-oxohexyl)-2-thienyl]thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.051978721 u |
| Formula | C18H18OS3 |
| InChI | InChI=1S/C18H18OS3/c1-2-3-4-6-13(19)14-8-9-17(21-14)18-11-10-16(22-18)15-7-5-12-20-15/h5,7-12H,2-4,6H2,1H3 |
| InChIKey | CPZOFTMOBKHNAU-UHFFFAOYSA-N |
| Molecular Weight | 346.521 g/mol |
| SMILES | C=1C=CSC1C=1SC(=CC1)C=1SC(=CC1)C(=O)CCCCC |