![3-Ketobicyclo[3.3.1]nonane-7-carboxylic acid](/api/spectrum/LQTUoIzUSYs/structure.png?h=300&w=458 "3-Ketobicyclo[3.3.1]nonane-7-carboxylic acid")
| SpectraBase Compound ID | 77TKz4g4NH7 |
|---|---|
| InChI | InChI=1S/C10H14O3/c11-9-4-6-1-7(5-9)3-8(2-6)10(12)13/h6-8H,1-5H2,(H,12,13) |
| InChIKey | DESICXXXLWJYFR-UHFFFAOYSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C10H14O3 |
| Exact Mass | 182.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQTUoIzUSYs |
|---|---|
| Name | 3-Ketobicyclo[3.3.1]nonane-7-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.094294308 u |
| Formula | C10H14O3 |
| InChI | InChI=1S/C10H14O3/c11-9-4-6-1-7(5-9)3-8(2-6)10(12)13/h6-8H,1-5H2,(H,12,13) |
| InChIKey | DESICXXXLWJYFR-UHFFFAOYSA-N |
| Molecular Weight | 182.219 g/mol |
| SMILES | C(=O)(C1C[C@@]2(CC(C[C@@](C1)(C2)[H])=O)[H])O |