![4-{4-[(4-Methoxyphenyl)ethynyl]phenyl}-2-methyl-3-butyn-2-ol](/api/spectrum/GZdMllTcfx3/structure.png?h=300&w=458 "4-{4-[(4-Methoxyphenyl)ethynyl]phenyl}-2-methyl-3-butyn-2-ol")
| SpectraBase Compound ID | 2SCvz0n0qvL |
|---|---|
| InChI | InChI=1S/C20H18O2/c1-20(2,21)15-14-18-8-6-16(7-9-18)4-5-17-10-12-19(22-3)13-11-17/h6-13,21H,1-3H3 |
| InChIKey | YBSFSFLZYAFIST-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C20H18O2 |
| Exact Mass | 290.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GZdMllTcfx3 |
|---|---|
| Name | 4-{4-[(4-Methoxyphenyl)ethynyl]phenyl}-2-methyl-3-butyn-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.130679818 u |
| Formula | C20H18O2 |
| InChI | InChI=1S/C20H18O2/c1-20(2,21)15-14-18-8-6-16(7-9-18)4-5-17-10-12-19(22-3)13-11-17/h6-13,21H,1-3H3 |
| InChIKey | YBSFSFLZYAFIST-UHFFFAOYSA-N |
| Molecular Weight | 290.362 g/mol |
| SMILES | C(#CC=1C=CC(C#CC2=CC=C(C=C2)OC)=CC1)C(O)(C)C |