| SpectraBase Compound ID | EruE9UemYxd |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-2-3-4-5-9-15-19-17(18)14-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3 |
| InChIKey | GZGITFJBUSHFNQ-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 | 5dxk7brVx43 |
|---|---|
| Name | Butyric acid, 4-phenyl-, heptyl 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/c1-2-3-4-5-9-15-19-17(18)14-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3 |
| InChIKey | GZGITFJBUSHFNQ-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C(CCCC=1C=CC=CC1)(OCCCCCCC)=O |