| SpectraBase Compound ID | DR77cwWRwPc |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-3-5-6-7-8-12-15-20-18(19)17(4-2)16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3 |
| InChIKey | PXXZAMMSLSMIBM-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUJke7wRqfp |
|---|---|
| Name | Butyric acid, 2-phenyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-3-5-6-7-8-12-15-20-18(19)17(4-2)16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3 |
| InChIKey | PXXZAMMSLSMIBM-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(C(C(OCCCCCCCC)=O)C1=CC=CC=C1)C |