| SpectraBase Compound ID | 5CH4njBGWIP |
|---|---|
| InChI | InChI=1S/C13H16O6/c1-17-12(15)10(14)11(13(16)18-2)19-8-9-6-4-3-5-7-9/h3-7,10-11,14H,8H2,1-2H3 |
| InChIKey | SCBLIMPSEZFVNJ-UHFFFAOYSA-N |
| Mol Weight | 268.26 g/mol |
| Molecular Formula | C13H16O6 |
| Exact Mass | 268.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RchJCXtCHx |
|---|---|
| Name | 2-Benzyloxy-3-hydroxysuccinic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.094688229 u |
| Formula | C13H16O6 |
| InChI | InChI=1S/C13H16O6/c1-17-12(15)10(14)11(13(16)18-2)19-8-9-6-4-3-5-7-9/h3-7,10-11,14H,8H2,1-2H3 |
| InChIKey | SCBLIMPSEZFVNJ-UHFFFAOYSA-N |
| SMILES | C(=O)(OC)C(OCC1=CC=CC=C1)C(C(=O)OC)O |