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(+-)-sec-butyl 2,3,4,6-tetra-methyl-.beta.,D-galctopyranoside isomer
SpectraBase Compound ID 3xIgr8ygtU1
InChI InChI=1S/C14H28O6/c1-7-9(2)19-14-13(18-6)12(17-5)11(16-4)10(20-14)8-15-3/h9-14H,7-8H2,1-6H3/t9?,10-,11+,12+,13-,14+/m1/s1
InChIKey XDPVZURCZKIZAJ-VUYBJCLPSA-N
Mol Weight 292.37 g/mol
Molecular Formula C14H28O6
Exact Mass 292.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zTRiG7NloJ
Name (+-)-sec-butyl 2,3,4,6-tetra-methyl-.beta.,D-galctopyranoside isomer
Comments Computed using HOSE algorithm
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Exact Mass 292.188588616 u
Formula C14H28O6
InChI InChI=1S/C14H28O6/c1-7-9(2)19-14-13(18-6)12(17-5)11(16-4)10(20-14)8-15-3/h9-14H,7-8H2,1-6H3/t9?,10-,11+,12+,13-,14+/m1/s1
InChIKey XDPVZURCZKIZAJ-VUYBJCLPSA-N
SMILES [C@@]1([C@@]([C@@](OC)([C@]([C@](O1)(COC)[H])(OC)[H])[H])(OC)[H])(OC(CC)C)[H]