| SpectraBase Compound ID | IvgSlAit2q5 |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-3-4-5-6-7-8-12-15-19(22)16-20(23-17(2)21)18-13-10-9-11-14-18/h9-11,13-14,20H,3-8,12,15-16H2,1-2H3/t20-/m0/s1 |
| InChIKey | SAYUNMPBYVPJNN-FQEVSTJZSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbDl71dRz5f |
|---|---|
| Name | (S)-1-Acetoxy-1-phenyl-3-dodecanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.219494823 u |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-3-4-5-6-7-8-12-15-19(22)16-20(23-17(2)21)18-13-10-9-11-14-18/h9-11,13-14,20H,3-8,12,15-16H2,1-2H3/t20-/m0/s1 |
| InChIKey | SAYUNMPBYVPJNN-FQEVSTJZSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | [C@@](OC(=O)C)(CC(=O)CCCCCCCCC)(C=1C=CC=CC1)[H] |