| SpectraBase Compound ID | 9Wc1fjhrEaJ |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-2-3-4-5-9-14-17(18)19-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3 |
| InChIKey | OZLRQNRZFQXBQQ-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 | 9iCWBhAF4uz |
|---|---|
| Name | Octanoic acid, 3-phenylpropyl 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/c1-2-3-4-5-9-14-17(18)19-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3 |
| InChIKey | OZLRQNRZFQXBQQ-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C1=CC=CC=C1CCCOC(=O)CCCCCCC |