![(E)-1-[2'-Thienyl]-3-hydroxy-5-phenyl-4-penten-1-yne](/api/spectrum/KQfr5xzPnZA/structure.png?h=300&w=458 "(E)-1-[2'-Thienyl]-3-hydroxy-5-phenyl-4-penten-1-yne")
| SpectraBase Compound ID | 3ae6oPmkVNi |
|---|---|
| InChI | InChI=1S/C15H12OS/c16-14(10-11-15-7-4-12-17-15)9-8-13-5-2-1-3-6-13/h1-9,12,14,16H/b9-8+ |
| InChIKey | NAGGGTWFMKRVHU-CMDGGOBGSA-N |
| Mol Weight | 240.32 g/mol |
| Molecular Formula | C15H12OS |
| Exact Mass | 240.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQfr5xzPnZA |
|---|---|
| Name | (E)-1-[2'-Thienyl]-3-hydroxy-5-phenyl-4-penten-1-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.060886179 u |
| Formula | C15H12OS |
| InChI | InChI=1S/C15H12OS/c16-14(10-11-15-7-4-12-17-15)9-8-13-5-2-1-3-6-13/h1-9,12,14,16H/b9-8+ |
| InChIKey | NAGGGTWFMKRVHU-CMDGGOBGSA-N |
| Molecular Weight | 240.320 g/mol |
| SMILES | C(#CC(\C=C\C=1C=CC=CC1)O)C1=CC=CS1 |