| SpectraBase Compound ID | 94h8uoLMgSs |
|---|---|
| InChI | InChI=1S/C20H26O3/c1-22-18-4-2-17(3-5-18)19(21)23-7-6-20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3/t14-,15+,16-,20+ |
| InChIKey | JAFLFMWECJFYQX-DHCNJJTISA-N |
| Mol Weight | 314.43 g/mol |
| Molecular Formula | C20H26O3 |
| Exact Mass | 314.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeePDsMnKDI |
|---|---|
| Name | p-Anisic acid, 2-(1-adamantyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.188194694 u |
| Formula | C20H26O3 |
| InChI | InChI=1S/C20H26O3/c1-22-18-4-2-17(3-5-18)19(21)23-7-6-20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3/t14-,15+,16-,20+ |
| InChIKey | JAFLFMWECJFYQX-DHCNJJTISA-N |
| SMILES | C(OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C1=CC=C(OC)C=C1 |