![[4-(Adamantyl-1)phenoxy]acetic acid](/api/spectrum/5oOGPvWufxn/structure.png?h=300&w=458 "[4-(Adamantyl-1)phenoxy]acetic acid")
| SpectraBase Compound ID | KuRxgHXpMiV |
|---|---|
| InChI | InChI=1S/C18H22O3/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,20)/t12-,13+,14-,18- |
| InChIKey | WIWCHWGNONICJI-WXZYKRPKSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C18H22O3 |
| Exact Mass | 286.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oOGPvWufxn |
|---|---|
| Name | [4-(Adamantyl-1)phenoxy]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.156894565 u |
| Formula | C18H22O3 |
| InChI | InChI=1S/C18H22O3/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,20)/t12-,13+,14-,18- |
| InChIKey | WIWCHWGNONICJI-WXZYKRPKSA-N |
| SMILES | C1=CC(=CC=C1C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])OCC(=O)O |