| SpectraBase Compound ID | ERT9OFZCdgX |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-13(9-8-11(14)15-2)12(16-13)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-,13+/m1/s1 |
| InChIKey | BDVIQMSPTBFLGE-OLZOCXBDSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EOvAAWm90mZ |
|---|---|
| Name | (4S*,5R*)-4,5-Epoxy-6-phenyl-4-methylpentanoic methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-13(9-8-11(14)15-2)12(16-13)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-,13+/m1/s1 |
| InChIKey | BDVIQMSPTBFLGE-OLZOCXBDSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | [C@@]1(O[C@@]1(C1=CC=CC=C1)[H])(CCC(=O)OC)C |