| SpectraBase Compound ID | 5vD60JLEEhu |
|---|---|
| InChI | InChI=1S/C15H24O2/c1-4-17-12(16)15-7-11-5-13(2,9-15)8-14(3,6-11)10-15/h11H,4-10H2,1-3H3/t11-,13+,14-,15- |
| InChIKey | DCOZPYZUIKIADB-FHRQKTJPSA-N |
| Mol Weight | 236.35 g/mol |
| Molecular Formula | C15H24O2 |
| Exact Mass | 236.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EabaTiRPqe |
|---|---|
| Name | 1,3-Dimethyladamantan-5-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.177630011 u |
| Formula | C15H24O2 |
| InChI | InChI=1S/C15H24O2/c1-4-17-12(16)15-7-11-5-13(2,9-15)8-14(3,6-11)10-15/h11H,4-10H2,1-3H3/t11-,13+,14-,15- |
| InChIKey | DCOZPYZUIKIADB-FHRQKTJPSA-N |
| Molecular Weight | 236.355 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2)(C[C@](C1)(C3)[H])C(=O)OCC)C)C |