| SpectraBase Compound ID | FToteKjsjJU |
|---|---|
| InChI | InChI=1S/C22H30O4/c23-19(25-21-7-13-1-14(8-21)3-15(2-13)9-21)20(24)26-22-10-16-4-17(11-22)6-18(5-16)12-22/h13-18H,1-12H2/t13-,14+,15-,16-,17+,18-,21-,22- |
| InChIKey | ATUGMYGBOZULBQ-RIAMUHENSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7W1iLEXJ4qy |
|---|---|
| Name | di-(1-Adamantyl)-oxalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.214409442 u |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c23-19(25-21-7-13-1-14(8-21)3-15(2-13)9-21)20(24)26-22-10-16-4-17(11-22)6-18(5-16)12-22/h13-18H,1-12H2/t13-,14+,15-,16-,17+,18-,21-,22- |
| InChIKey | ATUGMYGBOZULBQ-RIAMUHENSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C(=O)(OC12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])C(=O)OC12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H] |