| SpectraBase Compound ID | 7bHIMhIddRB |
|---|---|
| InChI | InChI=1S/C21H20O/c1-3-7-18-10-12-19(13-11-18)8-5-6-9-20-14-16-21(17-15-20)22-4-2/h10-17H,3-4,7H2,1-2H3 |
| InChIKey | LTFJNJWZCANDNC-UHFFFAOYSA-N |
| Mol Weight | 288.39 g/mol |
| Molecular Formula | C21H20O |
| Exact Mass | 288.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZVnHzmg89d |
|---|---|
| Name | 1-(4-Methoxyphenyl)-4-(4-propylphenyl)-1,3-butadiyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.151415263 u |
| Formula | C21H20O |
| InChI | InChI=1S/C21H20O/c1-3-7-18-10-12-19(13-11-18)8-5-6-9-20-14-16-21(17-15-20)22-4-2/h10-17H,3-4,7H2,1-2H3 |
| InChIKey | LTFJNJWZCANDNC-UHFFFAOYSA-N |
| SMILES | C(C#Cc1ccc(cc1)CCC)#Cc1ccc(cc1)OCC |