![1-n-Hexyl-4-[(p-tolyl)ethynyl]benzene](/api/spectrum/61nGdf96Pl4/structure.png?h=300&w=458 "1-n-Hexyl-4-[(p-tolyl)ethynyl]benzene")
| SpectraBase Compound ID | CuzHvNc5lgK |
|---|---|
| InChI | InChI=1S/C21H24/c1-3-4-5-6-7-19-12-14-21(15-13-19)17-16-20-10-8-18(2)9-11-20/h8-15H,3-7H2,1-2H3 |
| InChIKey | XYAMCKXIFIIWHA-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C21H24 |
| Exact Mass | 276.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61nGdf96Pl4 |
|---|---|
| Name | 1-N-Hexyl-4-[(p-tolyl)ethynyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.187800773 u |
| Formula | C21H24 |
| InChI | InChI=1S/C21H24/c1-3-4-5-6-7-19-12-14-21(15-13-19)17-16-20-10-8-18(2)9-11-20/h8-15H,3-7H2,1-2H3 |
| InChIKey | XYAMCKXIFIIWHA-UHFFFAOYSA-N |
| Molecular Weight | 276.423 g/mol |
| SMILES | C=1C(=CC=C(C1)C)C#CC=1C=CC(=CC1)CCCCCC |