| SpectraBase Compound ID | GWPERsCuzwF |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3 |
| InChIKey | DDMQLUJPAGWJOB-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 | 4aCCnaUi6Oh |
|---|---|
| Name | Decanoic acid, 2-phenylethyl 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/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3 |
| InChIKey | DDMQLUJPAGWJOB-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(CCCCCCCCC)(=O)OCCC1=CC=CC=C1 |