| SpectraBase Compound ID | LrMrlTZSq4Z |
|---|---|
| InChI | InChI=1S/C17H24O2/c1-3-13-9-11-15(12-10-13)17(18)19-16-8-6-5-7-14(16)4-2/h9-12,14,16H,3-8H2,1-2H3 |
| InChIKey | PIVNGPCOIVQWMM-UHFFFAOYSA-N |
| Mol Weight | 260.38 g/mol |
| Molecular Formula | C17H24O2 |
| Exact Mass | 260.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtewZUEALfW |
|---|---|
| Name | 4-Ethylbenzoic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.177630011 u |
| Formula | C17H24O2 |
| InChI | InChI=1S/C17H24O2/c1-3-13-9-11-15(12-10-13)17(18)19-16-8-6-5-7-14(16)4-2/h9-12,14,16H,3-8H2,1-2H3 |
| InChIKey | PIVNGPCOIVQWMM-UHFFFAOYSA-N |
| Molecular Weight | 260.377 g/mol |
| SMILES | C1(OC(C2=CC=C(C=C2)CC)=O)C(CCCC1)CC |