![Bicyclo[13.1.0]hexadecan-2-one](/api/spectrum/B2qpL3OrDC7/structure.png?h=300&w=458 "Bicyclo[13.1.0]hexadecan-2-one")
| SpectraBase Compound ID | 863MYAen4ah |
|---|---|
| InChI | InChI=1S/C16H28O/c17-16-12-10-8-6-4-2-1-3-5-7-9-11-14-13-15(14)16/h14-15H,1-13H2 |
| InChIKey | BIKRAVWBNXPMMM-UHFFFAOYSA-N |
| Mol Weight | 236.4 g/mol |
| Molecular Formula | C16H28O |
| Exact Mass | 236.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2qpL3OrDC7 |
|---|---|
| Name | Bicyclo[13.1.0]hexadecan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.214015521 u |
| Formula | C16H28O |
| InChI | InChI=1S/C16H28O/c17-16-12-10-8-6-4-2-1-3-5-7-9-11-14-13-15(14)16/h14-15H,1-13H2 |
| InChIKey | BIKRAVWBNXPMMM-UHFFFAOYSA-N |
| Molecular Weight | 236.399 g/mol |
| SMILES | C1CCCCCC(=O)C2C(CCCCCC1)C2 |