| SpectraBase Compound ID | 3hGXZPl8Kj |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-3-13-8-4-5-10-15(13)18-16(17)14-9-6-7-12(2)11-14/h6-7,9,11,13,15H,3-5,8,10H2,1-2H3 |
| InChIKey | IRDFUWCYAZSFHQ-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7t8YrLGktFY |
|---|---|
| Name | m-Toluic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c1-3-13-8-4-5-10-15(13)18-16(17)14-9-6-7-12(2)11-14/h6-7,9,11,13,15H,3-5,8,10H2,1-2H3 |
| InChIKey | IRDFUWCYAZSFHQ-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C1(OC(C2=CC=CC(=C2)C)=O)C(CCCC1)CC |