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Threo-2,3-dihydroxybutyric acid, methyl ester, di-p-toluenesulfonate

View entire compound with spectra: 2 NMR

Threo-2,3-dihydroxybutyric acid, methyl ester, di-p-toluenesulfonate
SpectraBase Compound ID 2eNcIJ8B73t
InChI InChI=1S/C19H22O8S2/c1-13-5-9-16(10-6-13)28(21,22)26-15(3)18(19(20)25-4)27-29(23,24)17-11-7-14(2)8-12-17/h5-12,15,18H,1-4H3
InChIKey JJAJLSKZFPDJIW-UHFFFAOYSA-N
Mol Weight 442.5 g/mol
Molecular Formula C19H22O8S2
Exact Mass 442.07561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5i3djaduQQ
Name Threo-2,3-dihydroxybutyric acid, methyl ester, di-p-toluenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 442.075610008 u
Formula C19H22O8S2
InChI InChI=1S/C19H22O8S2/c1-13-5-9-16(10-6-13)28(21,22)26-15(3)18(19(20)25-4)27-29(23,24)17-11-7-14(2)8-12-17/h5-12,15,18H,1-4H3
InChIKey JJAJLSKZFPDJIW-UHFFFAOYSA-N
Molecular Weight 442.497 g/mol
SMILES C=1C(=CC=C(C1)C)S(=O)(=O)OC(C(OS(=O)(=O)C=1C=CC(=CC1)C)C(=O)OC)C