| SpectraBase Compound ID | IBBDuoKBITk |
|---|---|
| InChI | InChI=1S/C15H22O2/c16-15(11-2-1-3-11)17-14-12-5-9-4-10(7-12)8-13(14)6-9/h9-14H,1-8H2/t9-,10+,12-,13+,14- |
| InChIKey | SDLLKQJYMLWQHG-ALXNSCJGSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsjNIJUn3M9 |
|---|---|
| Name | Cyclobutanecarboxylic acid, 2-adamantyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c16-15(11-2-1-3-11)17-14-12-5-9-4-10(7-12)8-13(14)6-9/h9-14H,1-8H2/t9-,10+,12-,13+,14- |
| InChIKey | SDLLKQJYMLWQHG-ALXNSCJGSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2OC(=O)C2CCC2)(C[C@](C1)(C3)[H])[H])[H])[H] |