| SpectraBase Compound ID | Eya9rRI7xBu |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-21-16-3-2-14(7-15(16)17(19)20)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,19,20)/t11-,12+,13-,18- |
| InChIKey | NQAIYIFIAKRVAR-MCXHQAMOSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C18H22O3 |
| Exact Mass | 286.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JBEZyFvC11Z |
|---|---|
| Name | 5-(Adamantan-1-yl)-2-methoxybenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.156894565 u |
| Formula | C18H22O3 |
| InChI | InChI=1S/C18H22O3/c1-21-16-3-2-14(7-15(16)17(19)20)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,19,20)/t11-,12+,13-,18- |
| InChIKey | NQAIYIFIAKRVAR-MCXHQAMOSA-N |
| SMILES | C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C1=CC=C(C(=C1)C(O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808351 |