![Bicyclo[2.2.2]octane-1,4-diol, diacetate](/api/spectrum/6um2mRPJqmN/structure.png?h=300&w=458 "Bicyclo[2.2.2]octane-1,4-diol, diacetate")
| SpectraBase Compound ID | LRCVtlWvYtk |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-9(13)15-11-3-6-12(7-4-11,8-5-11)16-10(2)14/h3-8H2,1-2H3 |
| InChIKey | WTOWDTUOKIFEFM-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6um2mRPJqmN |
|---|---|
| Name | Bicyclo[2.2.2]octane-1,4-diol, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-9(13)15-11-3-6-12(7-4-11,8-5-11)16-10(2)14/h3-8H2,1-2H3 |
| InChIKey | WTOWDTUOKIFEFM-UHFFFAOYSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C(OC12CCC(CC2)(CC1)OC(C)=O)(C)=O |