| SpectraBase Compound ID | GzUCF8VQfBu |
|---|---|
| InChI | InChI=1S/C7H8O3S.C5H9NO3/c1-6-2-4-7(5-3-6)11(8,9)10;6-2-3-1-4(7)5(8)9-3/h2-5H,1H3,(H,8,9,10);3-4,7H,1-2,6H2/t;3-,4+/m.0/s1 |
| InChIKey | MWOIEXMEPGNVLJ-RKNXPSPHSA-N |
| Mol Weight | 303.33 g/mol |
| Molecular Formula | C12H17NO6S |
| Exact Mass | 303.077658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WXUBUtshc6 |
|---|---|
| Name | (2S,4R)-5-AMINO-2-HYDROXY-4-PENTANOLIDE-4-METHYLBENZENESULFONATE |
| Compound Number | 11B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H17NO6S |
| InChI | InChI=1S/C7H8O3S.C5H9NO3/c1-6-2-4-7(5-3-6)11(8,9)10;6-2-3-1-4(7)5(8)9-3/h2-5H,1H3,(H,8,9,10);3-4,7H,1-2,6H2/t;3-,4+/m.0/s1 |
| InChIKey | MWOIEXMEPGNVLJ-RKNXPSPHSA-N |
| Literature Reference Author | J.HAEUSLER,H.KAEHLIG |
| Literature Reference Citation | MH.CHEM.,136,719(2005) |
| Literature Reference DOI | 10.1007/s00706-004-0246-y |
| Molecular Weight | 303.330 g/mol |
| Solvent | D2O |
| Source File Reference | UWSI23552 |