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3,5-o-bis-(Tert.-butyldimethylsilyl)-1-o-diphenylphosphate-2,4,6-o-tribenzyl-D-myo-inositol

View entire compound with spectra: 2 NMR

3,5-o-bis-(Tert.-butyldimethylsilyl)-1-o-diphenylphosphate-2,4,6-o-tribenzyl-D-myo-inositol
SpectraBase Compound ID 9vMkoq6XFHf
InChI InChI=1S/C51H67O9PSi2/c1-50(2,3)62(7,8)59-48-44(53-36-39-26-16-11-17-27-39)47(58-61(52,56-42-32-22-14-23-33-42)57-43-34-24-15-25-35-43)45(54-37-40-28-18-12-19-29-40)49(60-63(9,10)51(4,5)6)46(48)55-38-41-30-20-13-21-31-41/h11-35,44-49H,36-38H2,1-10H3/t44-,45-,46-,47-,48+,49-/m0/s1
InChIKey LAJUITIBPVQPLJ-WMMRDULLSA-N
Mol Weight 911.2 g/mol
Molecular Formula C51H67O9PSi2
Exact Mass 910.406124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IV9ut6Izmiy
Name 3,5-o-bis-(Tert.-butyldimethylsilyl)-1-o-diphenylphosphate-2,4,6-o-tribenzyl-D-myo-inositol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 910.406123796 u
Formula C51H67O9PSi2
InChI InChI=1S/C51H67O9PSi2/c1-50(2,3)62(7,8)59-48-44(53-36-39-26-16-11-17-27-39)47(58-61(52,56-42-32-22-14-23-33-42)57-43-34-24-15-25-35-43)45(54-37-40-28-18-12-19-29-40)49(60-63(9,10)51(4,5)6)46(48)55-38-41-30-20-13-21-31-41/h11-35,44-49H,36-38H2,1-10H3/t44-,45-,46-,47-,48+,49-/m0/s1
InChIKey LAJUITIBPVQPLJ-WMMRDULLSA-N
Molecular Weight 911.232 g/mol
SMILES [C@@]1(OCC2=CC=CC=C2)([C@]([C@@]([C@@]([C@@]([C@@]1(O[Si](C)(C)C(C)(C)C)[H])(OCC1=CC=CC=C1)[H])(O[Si](C)(C)C(C)(C)C)[H])(OCC1=CC=CC=C1)[H])(OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1)[H])[H]