![5-[(3Z)-Pent-3-en-1-yn-1-yl]-2,2'-bithiophene](/api/spectrum/Auf2Ks0RXu/structure.png?h=300&w=458 "5-[(3Z)-Pent-3-en-1-yn-1-yl]-2,2'-bithiophene")
| SpectraBase Compound ID | CWdVsYLzw5x |
|---|---|
| InChI | InChI=1S/C13H10S2/c1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12/h2-3,5,7-10H,1H3/b3-2- |
| InChIKey | FEESEVYIPPQXKI-IHWYPQMZSA-N |
| Mol Weight | 230.34 g/mol |
| Molecular Formula | C13H10S2 |
| Exact Mass | 230.022393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Auf2Ks0RXu |
|---|---|
| Name | 5-[(3Z)-Pent-3-en-1-yn-1-yl]-2,2'-bithiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.022392670 u |
| Formula | C13H10S2 |
| InChI | InChI=1S/C13H10S2/c1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12/h2-3,5,7-10H,1H3/b3-2- |
| InChIKey | FEESEVYIPPQXKI-IHWYPQMZSA-N |
| Molecular Weight | 230.343 g/mol |
| SMILES | C=1(SC(C=2SC=CC2)=CC1)C#C\C=C/C |