![.alpha.-[4-(Adamantyl-1)phenyl]propionic acid](/api/spectrum/5UuiX8Ec852/structure.png?h=300&w=458 ".alpha.-[4-(Adamantyl-1)phenyl]propionic acid")
| SpectraBase Compound ID | 2TL9YPtSx0b |
|---|---|
| InChI | InChI=1S/C19H24O2/c1-12(18(20)21)16-2-4-17(5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,20,21)/t12?,13-,14+,15-,19- |
| InChIKey | ZHVZLIOWARWDFO-MDSZHPLHSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C19H24O2 |
| Exact Mass | 284.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5UuiX8Ec852 |
|---|---|
| Name | .alpha.-[4-(Adamantyl-1)phenyl]propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.177630011 u |
| Formula | C19H24O2 |
| InChI | InChI=1S/C19H24O2/c1-12(18(20)21)16-2-4-17(5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,20,21)/t12?,13-,14+,15-,19- |
| InChIKey | ZHVZLIOWARWDFO-MDSZHPLHSA-N |
| SMILES | C1=C(C=CC(=C1)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])C(C)C(=O)O |