![{1-[(1-Phenylprop-2-yn-1-yl)oxy]prop-2-yn-1-yl}benzene](/api/spectrum/9Ra9sVF9aq9/structure.png?h=300&w=458 "{1-[(1-Phenylprop-2-yn-1-yl)oxy]prop-2-yn-1-yl}benzene")
| SpectraBase Compound ID | EgrOle0c7Mx |
|---|---|
| InChI | InChI=1S/C18H14O/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h1-2,5-14,17-18H |
| InChIKey | PCKFWFNOCHNWPC-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C18H14O |
| Exact Mass | 246.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Ra9sVF9aq9 |
|---|---|
| Name | {1-[(1-Phenylprop-2-yn-1-yl)oxy]prop-2-yn-1-yl}benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.104465070 u |
| Formula | C18H14O |
| InChI | InChI=1S/C18H14O/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h1-2,5-14,17-18H |
| InChIKey | PCKFWFNOCHNWPC-UHFFFAOYSA-N |
| Molecular Weight | 246.309 g/mol |
| SMILES | C1=CC=C(C(C#C)OC(C#C)C2=CC=CC=C2)C=C1 |