![Bicyclo[3.1.1]heptane-1,5-dicarboxylic acid, 1,1-dimethylethyl methyl ester](/api/spectrum/EsZjHwtSKmX/structure.png?h=300&w=458 "Bicyclo[3.1.1]heptane-1,5-dicarboxylic acid, 1,1-dimethylethyl methyl ester")
| SpectraBase Compound ID | 2esTpt0fFqb |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-12(2,3)18-11(16)14-7-5-6-13(8-14,9-14)10(15)17-4/h5-9H2,1-4H3 |
| InChIKey | RWIREWZLWLQSKE-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsZjHwtSKmX |
|---|---|
| Name | Bicyclo[3.1.1]heptane-1,5-dicarboxylic acid, 1,1-dimethylethyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-12(2,3)18-11(16)14-7-5-6-13(8-14,9-14)10(15)17-4/h5-9H2,1-4H3 |
| InChIKey | RWIREWZLWLQSKE-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C12(C(OC(C)(C)C)=O)CC(C2)(C(=O)OC)CCC1 |