| SpectraBase Compound ID | 7qSLojoCEtg |
|---|---|
| InChI | InChI=1S/C12H16S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-6H2,1H3 |
| InChIKey | JBNNSBDEZWBMLA-UHFFFAOYSA-N |
| Mol Weight | 192.32 g/mol |
| Molecular Formula | C12H16S |
| Exact Mass | 192.097272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkF0ZDnjuqh |
|---|---|
| Name | 3-(1'-Octynyl)-thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.097271689 u |
| Formula | C12H16S |
| InChI | InChI=1S/C12H16S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-6H2,1H3 |
| InChIKey | JBNNSBDEZWBMLA-UHFFFAOYSA-N |
| Molecular Weight | 192.320 g/mol |
| SMILES | C(#CCCCCCC)C1=CSC=C1 |