![Quinuclidine [(rs)-2-ethylhexyl] trioxorhenium (vii)](/api/spectrum/xTuzvN7JtT/structure.png?h=300&w=458 "Quinuclidine [(rs)-2-ethylhexyl] trioxorhenium (vii)")
| SpectraBase Compound ID | 5U8JC6gvl5E |
|---|---|
| InChI | InChI=1S/C8H17.C7H13N.3O.Re/c1-4-6-7-8(3)5-2;1-4-8-5-2-7(1)3-6-8;;;;/h8H,3-7H2,1-2H3;7H,1-6H2;;;; |
| InChIKey | NVADUCDQLZJFSS-UHFFFAOYSA-N |
| Mol Weight | 458.62 g/mol |
| Molecular Formula | C15H30NO3Re |
| Exact Mass | 459.178321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xTuzvN7JtT |
|---|---|
| Name | Quinuclidine [(rs)-2-ethylhexyl] trioxorhenium (vii) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 459.178320827 u |
| Formula | C15H30NO3Re |
| InChI | InChI=1S/C8H17.C7H13N.3O.Re/c1-4-6-7-8(3)5-2;1-4-8-5-2-7(1)3-6-8;;;;/h8H,3-7H2,1-2H3;7H,1-6H2;;;; |
| InChIKey | NVADUCDQLZJFSS-UHFFFAOYSA-N |
| Molecular Weight | 458.616 g/mol |
| SMILES | C1N2CCC(C1)CC2.C([Re](=O)(=O)=O)C(CC)CCCC |