| SpectraBase Compound ID | K6B7WJ5gbZc |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-12-15-20-18(19)16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3 |
| InChIKey | AKKHCVAUQXJEOR-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 | 3G3R4QfKFPm |
|---|---|
| Name | Benzeneacetic acid, decyl 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/c1-2-3-4-5-6-7-8-12-15-20-18(19)16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3 |
| InChIKey | AKKHCVAUQXJEOR-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C1=CC(CC(=O)OCCCCCCCCCC)=CC=C1 |