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Benzyl(1,2;3,4-dibenzylidene-alpha-D-galactopyranoso-6)diethylamidophosphite
SpectraBase Compound ID IXeZgNCenIN
InChI InChI=1S/C31H36NO7P/c1-3-32(4-2)40(33-20-22-14-8-5-9-15-22)34-21-25-26-27(37-29(36-26)23-16-10-6-11-17-23)28-31(35-25)39-30(38-28)24-18-12-7-13-19-24/h5-19,25-31H,3-4,20-21H2,1-2H3/t25-,26+,27+,28-,29+,30?,31-,40?/m1/s1
InChIKey JZHVDFKUEQLBSK-NKBWKNKASA-N
Mol Weight 565.6 g/mol
Molecular Formula C31H36NO7P
Exact Mass 565.222939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ca6KFWWNU5i
Name Benzyl(1,2;3,4-dibenzylidene-alpha-D-galactopyranoso-6)diethylamidophosphite
Comments Computed using HOSE algorithm
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Exact Mass 565.222939494 u
Formula C31H36NO7P
InChI InChI=1S/C31H36NO7P/c1-3-32(4-2)40(33-20-22-14-8-5-9-15-22)34-21-25-26-27(37-29(36-26)23-16-10-6-11-17-23)28-31(35-25)39-30(38-28)24-18-12-7-13-19-24/h5-19,25-31H,3-4,20-21H2,1-2H3/t25-,26+,27+,28-,29+,30?,31-,40?/m1/s1
InChIKey JZHVDFKUEQLBSK-NKBWKNKASA-N
Molecular Weight 565.603 g/mol
SMILES [C@@]12([C@@]3([C@]([C@](O[C@@]2(OC(O1)c1ccccc1)[H])(COP(N(CC)CC)OCc1ccccc1)[H])(O[C@@](O3)(c1ccccc1)[H])[H])[H])[H]