| SpectraBase Compound ID | Cw8yJYMnxf |
|---|---|
| InChI | InChI=1S/C19H24O2/c1-13-4-2-3-5-17(13)18(20)21-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3/t14-,15+,16-,19- |
| InChIKey | OUCCUMMQWFSCIK-HGYGSNGRSA-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 | 5L8bLQ9AhMJ |
|---|---|
| Name | o-Toluic acid, 1-adamantylmethyl ester |
| 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/c1-13-4-2-3-5-17(13)18(20)21-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3/t14-,15+,16-,19- |
| InChIKey | OUCCUMMQWFSCIK-HGYGSNGRSA-N |
| SMILES | C(OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C=1C(C)=CC=CC1 |