| SpectraBase Compound ID | 71qyxY0V3J1 |
|---|---|
| InChI | InChI=1S/C12H16Cl2O2/c13-11(14)12(15)16-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2/t6-,7+,8-,9+,10- |
| InChIKey | HRPDNAVAGQGPQS-BIPATUIKSA-N |
| Mol Weight | 263.16 g/mol |
| Molecular Formula | C12H16Cl2O2 |
| Exact Mass | 262.052735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7op1mZBDdYu |
|---|---|
| Name | Dichloroacetic acid, 2-adamantyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.052735153 u |
| Formula | C12H16Cl2O2 |
| InChI | InChI=1S/C12H16Cl2O2/c13-11(14)12(15)16-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2/t6-,7+,8-,9+,10- |
| InChIKey | HRPDNAVAGQGPQS-BIPATUIKSA-N |
| SMILES | [C@]12(C[C@@]3(C[C@](C2OC(C(Cl)Cl)=O)(C[C@](C1)(C3)[H])[H])[H])[H] |