| SpectraBase Compound ID | GS2BvnCqofL |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-2-3-4-5-6-10-15-19-17(18)14-13-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3 |
| InChIKey | RZAWJJGKGPTNFC-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 | HLi34d0RzBZ |
|---|---|
| Name | Benzenepropanoic 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/c1-2-3-4-5-6-10-15-19-17(18)14-13-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3 |
| InChIKey | RZAWJJGKGPTNFC-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C1=CC(CCC(OCCCCCCCC)=O)=CC=C1 |