| SpectraBase Compound ID | GWQyTgK70w8 |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-20-15-2-4-16(5-3-15)21-17(19)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3/t12-,13+,14-,18- |
| InChIKey | IISGTOWMMIBYLB-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 | 3l3JOYfSoFe |
|---|---|
| Name | 1-Adamantanecarboxylic acid, 4-methoxyphenyl ester |
| 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/c1-20-15-2-4-16(5-3-15)21-17(19)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3/t12-,13+,14-,18- |
| InChIKey | IISGTOWMMIBYLB-WXZYKRPKSA-N |
| SMILES | C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(=O)OC1=CC=C(OC)C=C1)[H])[H] |