| SpectraBase Compound ID | DfalPoSbo0u |
|---|---|
| InChI | InChI=1S/C12H14O5/c1-3-16-10(13)12(2,15)11(14)17-9-7-5-4-6-8-9/h4-8,15H,3H2,1-2H3/t12-/m0/s1 |
| InChIKey | PMNPOTAIMDUILU-LBPRGKRZSA-N |
| Mol Weight | 238.24 g/mol |
| Molecular Formula | C12H14O5 |
| Exact Mass | 238.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQNkwTqjSvj |
|---|---|
| Name | (2S)-2-Hydroxy-2-methyl-malonic acid O1-ethyl ester O3-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.084123546 u |
| Formula | C12H14O5 |
| InChI | InChI=1S/C12H14O5/c1-3-16-10(13)12(2,15)11(14)17-9-7-5-4-6-8-9/h4-8,15H,3H2,1-2H3/t12-/m0/s1 |
| InChIKey | PMNPOTAIMDUILU-LBPRGKRZSA-N |
| Molecular Weight | 238.239 g/mol |
| SMILES | C([C@](C(=O)OC=1C=CC=CC1)(C)O)(=O)OCC |