![Bicyclo[3.2.1]octane-2,6-dicarboxylic acid, dimethyl ester](/api/spectrum/DUF0YIxW4IO/structure.png?h=300&w=458 "Bicyclo[3.2.1]octane-2,6-dicarboxylic acid, dimethyl ester")
| SpectraBase Compound ID | Fx33b6J5vAq |
|---|---|
| InChI | InChI=1S/C8H14.2C2H4O2/c1-2-7-4-5-8(3-1)6-7;2*1-4-2-3/h7-8H,1-6H2;2*2H,1H3/t7-,8+;; |
| InChIKey | JOYUYGIJDCACOL-QFHMQQKOSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUF0YIxW4IO |
|---|---|
| Name | Bicyclo[3.2.1]octane-2,6-dicarboxylic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C8H14.2C2H4O2/c1-2-7-4-5-8(3-1)6-7;2*1-4-2-3/h7-8H,1-6H2;2*2H,1H3/t7-,8+;; |
| InChIKey | JOYUYGIJDCACOL-QFHMQQKOSA-N |
| Molecular Weight | 230.304 g/mol |
| Nominal Mass | 230 u |
| SMILES | C(=O)OC.C1C[C@@]2(CCC[C@]1(C2)[H])[H].C(=O)OC |