| SpectraBase Compound ID | JLCJ0Jzf5jj |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-21-17(20)15-7-14(2-3-16(15)19)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13,19H,4-6,8-10H2,1H3/t11-,12+,13-,18- |
| InChIKey | JFRMQGWZTDYHRK-MCXHQAMOSA-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 | 11Ve4YTsmUH |
|---|---|
| Name | 5-(Adamantyl-1)salicylic acid, methyl 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/c1-21-17(20)15-7-14(2-3-16(15)19)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13,19H,4-6,8-10H2,1H3/t11-,12+,13-,18- |
| InChIKey | JFRMQGWZTDYHRK-MCXHQAMOSA-N |
| SMILES | C1=C(C(=CC(=C1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C(=O)OC)O |