![1-{4'-[2''-(p-Methoxyphenyl)ethynyl]phenyl}-ethanone](/api/spectrum/HGerbn7cts2/structure.png?h=300&w=458 "1-{4'-[2''-(p-Methoxyphenyl)ethynyl]phenyl}-ethanone")
| SpectraBase Compound ID | 9e6JB6jdj1C |
|---|---|
| InChI | InChI=1S/C17H14O2/c1-19-17-10-8-15(9-11-17)3-2-14-4-6-16(7-5-14)12-13-18/h4-11,13H,12H2,1H3 |
| InChIKey | NTSCDJQYGOMHIU-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C17H14O2 |
| Exact Mass | 250.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGerbn7cts2 |
|---|---|
| Name | 1-{4'-[2''-(p-methoxyphenyl)ethynyl]phenyl}-ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.099379689 u |
| Formula | C17H14O2 |
| InChI | InChI=1S/C17H14O2/c1-19-17-10-8-15(9-11-17)3-2-14-4-6-16(7-5-14)12-13-18/h4-11,13H,12H2,1H3 |
| InChIKey | NTSCDJQYGOMHIU-UHFFFAOYSA-N |
| Molecular Weight | 250.297 g/mol |
| SMILES | C(#CC1=CC=C(C=C1)OC)C=1C=CC(=CC1)CC=O |