| SpectraBase Compound ID | 3nheIeVwT5L |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-3-5-6-7-8-9-14-19-17(18)16-12-10-15(4-2)11-13-16/h10-13H,3-9,14H2,1-2H3 |
| InChIKey | PXGCAPRMDJWYHP-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sKdEw7i3Rm |
|---|---|
| Name | 4-Ethylbenzoic acid, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-3-5-6-7-8-9-14-19-17(18)16-12-10-15(4-2)11-13-16/h10-13H,3-9,14H2,1-2H3 |
| InChIKey | PXGCAPRMDJWYHP-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C(=O)(OCCCCCCCC)C1=CC=C(CC)C=C1 |