| SpectraBase Compound ID | 7ZUdJYAGgn1 |
|---|---|
| InChI | InChI=1S/C18H18S2/c1-2-3-10-17-15(16-11-7-12-19-16)13-18(20-17)14-8-5-4-6-9-14/h4-9,11-13H,2-3,10H2,1H3 |
| InChIKey | FGCQBWGBBNQINC-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 | JCFrJFqnq2m |
|---|---|
| Name | 2-Butyl-5-phenyl-3-(2-thienyl)thiophene |
| 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/c1-2-3-10-17-15(16-11-7-12-19-16)13-18(20-17)14-8-5-4-6-9-14/h4-9,11-13H,2-3,10H2,1H3 |
| InChIKey | FGCQBWGBBNQINC-UHFFFAOYSA-N |
| Molecular Weight | 298.462 g/mol |
| SMILES | C1(=C(C=C(S1)C=1C=CC=CC1)C1=CC=CS1)CCCC |