| SpectraBase Compound ID | B6bmlxa64ZX |
|---|---|
| InChI | InChI=1S/C10H16O7/c1-5(2)8(12)17-7(10(14)16-4)6(11)9(13)15-3/h5-7,11H,1-4H3 |
| InChIKey | JVNSPBQUMFUBCW-UHFFFAOYSA-N |
| Mol Weight | 248.23 g/mol |
| Molecular Formula | C10H16O7 |
| Exact Mass | 248.089603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2v8TBKGNEAr |
|---|---|
| Name | (2R,3R)-2,3-Dihydroxybutanedioic acid, dimethyl ester, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.089602848 u |
| Formula | C10H16O7 |
| InChI | InChI=1S/C10H16O7/c1-5(2)8(12)17-7(10(14)16-4)6(11)9(13)15-3/h5-7,11H,1-4H3 |
| InChIKey | JVNSPBQUMFUBCW-UHFFFAOYSA-N |
| Molecular Weight | 248.231 g/mol |
| SMILES | C(C(C(OC)=O)OC(C(C)C)=O)(C(OC)=O)O |