| SpectraBase Compound ID | 7Vk69LVMMST |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-2-14-3-5-18(6-4-14)19(21)22-13-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17H,2,7-13H2,1H3/t15-,16+,17-,20- |
| InChIKey | FLVOKNUCTFWOKW-CHINLQBDSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eir8WUygb6r |
|---|---|
| Name | 4-Ethylbenzoic acid, 1-adamantylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-2-14-3-5-18(6-4-14)19(21)22-13-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17H,2,7-13H2,1H3/t15-,16+,17-,20- |
| InChIKey | FLVOKNUCTFWOKW-CHINLQBDSA-N |
| SMILES | C(OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C1=CC=C(CC)C=C1 |