| SpectraBase Compound ID | AtRVFzKNPun |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-3-4-10-13(16)14(17-11(2)15)12-8-6-5-7-9-12/h3,5-9,14H,1,4,10H2,2H3/t14-/m0/s1 |
| InChIKey | ZHOCWWADSIKSJA-AWEZNQCLSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdMvA2NgPa |
|---|---|
| Name | (S)-1-Acetoxy-1-phenyl-5-hexen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-3-4-10-13(16)14(17-11(2)15)12-8-6-5-7-9-12/h3,5-9,14H,1,4,10H2,2H3/t14-/m0/s1 |
| InChIKey | ZHOCWWADSIKSJA-AWEZNQCLSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | [C@](OC(=O)C)(C(=O)CCC=C)(C=1C=CC=CC1)[H] |