| SpectraBase Compound ID | 3iNXmTLHlwV |
|---|---|
| InChI | InChI=1S/C17H20S/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h8-16H,2-5H2,1H3/b9-8+,11-10+,14-12+ |
| InChIKey | ZRHAYDHZSFJSTO-TVYNXUAPSA-N |
| Mol Weight | 256.41 g/mol |
| Molecular Formula | C17H20S |
| Exact Mass | 256.128572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B67Ovxahvxq |
|---|---|
| Name | 1-(2'-Thienyl)trideca-1,3,5-trien-7-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.128571818 u |
| Formula | C17H20S |
| InChI | InChI=1S/C17H20S/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h8-16H,2-5H2,1H3/b9-8+,11-10+,14-12+ |
| InChIKey | ZRHAYDHZSFJSTO-TVYNXUAPSA-N |
| Molecular Weight | 256.407 g/mol |
| SMILES | C(#CCCCCC)\C=C\C=C\C=C\C=1SC=CC1 |