![6,7,7-Trimethylbicyclo[2.2.1]heptyl 3-oxobutanoate](/api/spectrum/9vrUS7eDOwl/structure.png?h=300&w=458 "6,7,7-Trimethylbicyclo[2.2.1]heptyl 3-oxobutanoate")
| SpectraBase Compound ID | IUo6XOXNnrA |
|---|---|
| InChI | InChI=1S/C14H22O3/c1-9-7-11-5-6-14(9,13(11,3)4)17-12(16)8-10(2)15/h9,11H,5-8H2,1-4H3 |
| InChIKey | PQQDKTUAZILJPS-UHFFFAOYSA-N |
| Mol Weight | 238.33 g/mol |
| Molecular Formula | C14H22O3 |
| Exact Mass | 238.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vrUS7eDOwl |
|---|---|
| Name | 6,7,7-Trimethylbicyclo[2.2.1]heptyl 3-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.156894565 u |
| Formula | C14H22O3 |
| InChI | InChI=1S/C14H22O3/c1-9-7-11-5-6-14(9,13(11,3)4)17-12(16)8-10(2)15/h9,11H,5-8H2,1-4H3 |
| InChIKey | PQQDKTUAZILJPS-UHFFFAOYSA-N |
| Molecular Weight | 238.327 g/mol |
| SMILES | C12(C(C(CC2)CC1C)(C)C)OC(CC(=O)C)=O |