![Methyl-[(1-phenylethynyl-3-phenyl)prop-2-ynyl]ether](/api/spectrum/5JIWqs4UR8Y/structure.png?h=300&w=458 "Methyl-[(1-phenylethynyl-3-phenyl)prop-2-ynyl]ether")
| SpectraBase Compound ID | 3HsKmP8v62c |
|---|---|
| InChI | InChI=1S/C18H14O/c1-19-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11,18H,1H3 |
| InChIKey | IHEZLEMSBCSOGF-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 | 5JIWqs4UR8Y |
|---|---|
| Name | Methyl-[(1-phenylethynyl-3-phenyl)prop-2-ynyl]ether |
| 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/c1-19-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11,18H,1H3 |
| InChIKey | IHEZLEMSBCSOGF-UHFFFAOYSA-N |
| Molecular Weight | 246.309 g/mol |
| SMILES | C(#CC(C#CC=1C=CC=CC1)OC)C1=CC=CC=C1 |