| SpectraBase Compound ID | CFueqDEFYPu |
|---|---|
| InChI | InChI=1S/C12H14S/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h5-6,8,10-11H,2-4H2,1H3/b6-5+ |
| InChIKey | LEALZHYPEGKZNJ-AATRIKPKSA-N |
| Mol Weight | 190.3 g/mol |
| Molecular Formula | C12H14S |
| Exact Mass | 190.081622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6eK30xpy7uf |
|---|---|
| Name | (E)-1-(2-Thienyl)oct-3-en-1-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.081621625 u |
| Formula | C12H14S |
| InChI | InChI=1S/C12H14S/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h5-6,8,10-11H,2-4H2,1H3/b6-5+ |
| InChIKey | LEALZHYPEGKZNJ-AATRIKPKSA-N |
| Molecular Weight | 190.304 g/mol |
| SMILES | C(#C\C=C\CCCC)C1=CC=CS1 |