| SpectraBase Compound ID | 6ONuzNAOBBh |
|---|---|
| InChI | InChI=1S/C12H21O3P/c1-14-16(2,13)15-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3/t9-,10+,11-,12-,16? |
| InChIKey | COOLWQMPDQYATN-RAISINNZSA-N |
| Mol Weight | 244.27 g/mol |
| Molecular Formula | C12H21O3P |
| Exact Mass | 244.122832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | t53Ki86TJA |
|---|---|
| Name | o-Methyl-o-(1-adamantyl)methylphosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.122831531 u |
| Formula | C12H21O3P |
| InChI | InChI=1S/C12H21O3P/c1-14-16(2,13)15-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3/t9-,10+,11-,12-,16? |
| InChIKey | COOLWQMPDQYATN-RAISINNZSA-N |
| Molecular Weight | 244.271 g/mol |
| SMILES | C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])OP(C)(=O)OC |