![2-BUTENE, 4-ACETOXY-1-(9-BORABICYCLO[3.3.1]NON-9-YL)OXY-](/api/spectrum/8ZETnUGZ2xf/structure.png?h=300&w=458 "2-BUTENE, 4-ACETOXY-1-(9-BORABICYCLO[3.3.1]NON-9-YL)OXY-")
| SpectraBase Compound ID | G9OQNVmf0WM |
|---|---|
| InChI | InChI=1S/C14H21BO3/c1-12(16)17-10-2-3-11-18-15-13-6-4-7-14(15)9-5-8-13/h13-14H,4-11H2,1H3/t13-,14+ |
| InChIKey | WXSUUMXKBKPSST-OKILXGFUSA-N |
| Mol Weight | 248.1 g/mol |
| Molecular Formula | C14H21BO3 |
| Exact Mass | 248.158375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZETnUGZ2xf |
|---|---|
| Name | 2-Butyne, 4-acetoxy-1-(9-borabicyclo[3.3.1]non-9-yl)oxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.158374703 u |
| Formula | C14H21BO3 |
| InChI | InChI=1S/C14H21BO3/c1-12(16)17-10-2-3-11-18-15-13-6-4-7-14(15)9-5-8-13/h13-14H,4-11H2,1H3/t13-,14+ |
| InChIKey | WXSUUMXKBKPSST-OKILXGFUSA-N |
| Molecular Weight | 248.129 g/mol |
| SMILES | C(=O)(C)OCC#CCOB1[C@]2(CCC[C@@]1(CCC2)[H])[H] |