![1-Ethynyl-4-[(4-ethynylphenyl)ethynyl]benzene](/api/spectrum/A3FR3MEID0J/structure.png?h=300&w=458 "1-Ethynyl-4-[(4-ethynylphenyl)ethynyl]benzene")
| SpectraBase Compound ID | 5QsHCyLGi51 |
|---|---|
| InChI | InChI=1S/C18H10/c1-3-15-5-9-17(10-6-15)13-14-18-11-7-16(4-2)8-12-18/h1-2,5-12H |
| InChIKey | TWIVNHSGJOJLJM-UHFFFAOYSA-N |
| Mol Weight | 226.28 g/mol |
| Molecular Formula | C18H10 |
| Exact Mass | 226.07825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3FR3MEID0J |
|---|---|
| Name | 1-Ethynyl-4-[(4-ethynylphenyl)ethynyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.078250322 u |
| Formula | C18H10 |
| InChI | InChI=1S/C18H10/c1-3-15-5-9-17(10-6-15)13-14-18-11-7-16(4-2)8-12-18/h1-2,5-12H |
| InChIKey | TWIVNHSGJOJLJM-UHFFFAOYSA-N |
| Molecular Weight | 226.278 g/mol |
| SMILES | C(#CC1=CC=C(C#C)C=C1)C=1C=CC(C#C)=CC1 |