| SpectraBase Compound ID | 8xLgy9NPPRP |
|---|---|
| InChI | InChI=1S/C20H26O2/c21-19(22-8-4-7-15-5-2-1-3-6-15)20-12-16-9-17(13-20)11-18(10-16)14-20/h1-3,5-6,16-18H,4,7-14H2/t16-,17+,18-,20- |
| InChIKey | MRYHIMKAZUFXBO-DSWCUTRASA-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 | 8Nl9cUiEJwd |
|---|---|
| Name | 1-Adamantanecarboxylic acid, 3-phenylpropyl 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/c21-19(22-8-4-7-15-5-2-1-3-6-15)20-12-16-9-17(13-20)11-18(10-16)14-20/h1-3,5-6,16-18H,4,7-14H2/t16-,17+,18-,20- |
| InChIKey | MRYHIMKAZUFXBO-DSWCUTRASA-N |
| SMILES | C1(=CC=CC=C1)CCCOC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |