| SpectraBase Compound ID | F4ksiDq3N1M |
|---|---|
| InChI | InChI=1S/C19H32O2/c1-3-5-6-14(4-2)13-21-18(20)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,3-13H2,1-2H3/t14?,15-,16+,17-,19- |
| InChIKey | FJWMMQXTKZMSHR-ATADIKNHSA-N |
| Mol Weight | 292.5 g/mol |
| Molecular Formula | C19H32O2 |
| Exact Mass | 292.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2IZa7LG3pM4 |
|---|---|
| Name | 1-Adamantanecarboxylic acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.240230268 u |
| Formula | C19H32O2 |
| InChI | InChI=1S/C19H32O2/c1-3-5-6-14(4-2)13-21-18(20)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,3-13H2,1-2H3/t14?,15-,16+,17-,19- |
| InChIKey | FJWMMQXTKZMSHR-ATADIKNHSA-N |
| SMILES | C(COC(C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])=O)(CCCC)CC |