| SpectraBase Compound ID | 3hCldYjAKBZ |
|---|---|
| InChI | InChI=1S/C20H26/c1-3-5-7-9-11-13-19-15-17-20(18-16-19)14-12-10-8-6-4-2/h15-18H,3-10H2,1-2H3 |
| InChIKey | LDNNFRIFKFDSSZ-UHFFFAOYSA-N |
| Mol Weight | 266.43 g/mol |
| Molecular Formula | C20H26 |
| Exact Mass | 266.203451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kj8MFus3APy |
|---|---|
| Name | 1,4-bis(Hept-1-ynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.203450837 u |
| Formula | C20H26 |
| InChI | InChI=1S/C20H26/c1-3-5-7-9-11-13-19-15-17-20(18-16-19)14-12-10-8-6-4-2/h15-18H,3-10H2,1-2H3 |
| InChIKey | LDNNFRIFKFDSSZ-UHFFFAOYSA-N |
| Molecular Weight | 266.428 g/mol |
| SMILES | C(#CCCCCC)C=1C=CC(C#CCCCCC)=CC1 |