| SpectraBase Compound ID | 3UfDC8dmLtp |
|---|---|
| InChI | InChI=1S/C7H13N.C5H11.3O.Re/c1-4-8-5-2-7(1)3-6-8;1-4-5(2)3;;;;/h7H,1-6H2;5H,1,4H2,2-3H3;;;; |
| InChIKey | QSMFENLOMBNHPC-UHFFFAOYSA-N |
| Mol Weight | 416.54 g/mol |
| Molecular Formula | C12H24NO3Re |
| Exact Mass | 417.131371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E2g8ommU6Y4 |
|---|---|
| Name | Quinuclidine (3-methylbutyl)-trioxorhenium |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.131370634 u |
| Formula | C12H24NO3Re |
| InChI | InChI=1S/C7H13N.C5H11.3O.Re/c1-4-8-5-2-7(1)3-6-8;1-4-5(2)3;;;;/h7H,1-6H2;5H,1,4H2,2-3H3;;;; |
| InChIKey | QSMFENLOMBNHPC-UHFFFAOYSA-N |
| Molecular Weight | 416.535 g/mol |
| SMILES | C1N2CCC(C1)CC2.C([Re](=O)(=O)=O)CC(C)C |