![8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate](/api/spectrum/2aic7tHQIot/structure.png?h=300&w=458 "8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate")
| SpectraBase Compound ID | CGmzUksoA0N |
|---|---|
| InChI | InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3/t14-,15+,16? |
| InChIKey | HDDNYFLPWFSBLN-XYPWUTKMSA-N |
| Mol Weight | 273.38 g/mol |
| Molecular Formula | C17H23NO2 |
| Exact Mass | 273.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aic7tHQIot |
|---|---|
| Name | 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.172878983 u |
| Formula | C17H23NO2 |
| InChI | InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3/t14-,15+,16? |
| InChIKey | HDDNYFLPWFSBLN-XYPWUTKMSA-N |
| SMILES | CN1[C@]2(CC[C@@]1(CC(C2)OC(C1=CC(C)=CC(=C1)C)=O)[H])[H] |