![2-[3-(2-Propynyloxy)phenyl]benzoxazole](/api/spectrum/9h1MmJRRbze/structure.png?h=300&w=458 "2-[3-(2-Propynyloxy)phenyl]benzoxazole")
| SpectraBase Compound ID | 4RQqn0cT7ry |
|---|---|
| InChI | InChI=1S/C16H11NO2/c1-2-10-18-13-7-5-6-12(11-13)16-17-14-8-3-4-9-15(14)19-16/h1,3-9,11H,10H2 |
| InChIKey | VZIOOTUHMOHYFR-UHFFFAOYSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C16H11NO2 |
| Exact Mass | 249.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9h1MmJRRbze |
|---|---|
| Name | 2-[3-(2-Propynyloxy)phenyl]benzoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.078978596 u |
| Formula | C16H11NO2 |
| InChI | InChI=1S/C16H11NO2/c1-2-10-18-13-7-5-6-12(11-13)16-17-14-8-3-4-9-15(14)19-16/h1,3-9,11H,10H2 |
| InChIKey | VZIOOTUHMOHYFR-UHFFFAOYSA-N |
| Molecular Weight | 249.269 g/mol |
| SMILES | C1(=NC2=CC=CC=C2O1)C=1C=C(OCC#C)C=CC1 |