| SpectraBase Compound ID | HxIbez13OgW |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-16-12(14)9-11(13(15)17-2)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1 |
| InChIKey | RWYYXMPWROIWLA-NSHDSACASA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQVo0KCX5yN |
|---|---|
| Name | (2S)-2-(Phenylmethyl)butanedioic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-16-12(14)9-11(13(15)17-2)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1 |
| InChIKey | RWYYXMPWROIWLA-NSHDSACASA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C([C@](CC(=O)OC)(CC=1C=CC=CC1)[H])(=O)OC |