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1,3,4,5,6-PENTA-O-BENZYL-2-C-TRICHLOROMETHYL-MYO-INOSITOL

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1,3,4,5,6-PENTA-O-BENZYL-2-C-TRICHLOROMETHYL-MYO-INOSITOL
SpectraBase Compound ID 35f7JVWKSOG
InChI InChI=1S/C42H41Cl3O6/c43-42(44,45)41(46)39(50-29-34-22-12-4-13-23-34)37(48-27-32-18-8-2-9-19-32)36(47-26-31-16-6-1-7-17-31)38(49-28-33-20-10-3-11-21-33)40(41)51-30-35-24-14-5-15-25-35/h1-25,36-40,46H,26-30H2/t36-,37-,38+,39+,40-,41+
InChIKey IDKOLYCLYUPSOR-LNQZRZQPSA-N
Mol Weight 748.1 g/mol
Molecular Formula C42H41Cl3O6
Exact Mass 746.196872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyHltxSaPdi
Name 1,3,4,5,6-PENTA-O-BENZYL-2-C-TRICHLOROMETHYL-MYO-INOSITOL
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H41Cl3O6
InChI InChI=1S/C42H41Cl3O6/c43-42(44,45)41(46)39(50-29-34-22-12-4-13-23-34)37(48-27-32-18-8-2-9-19-32)36(47-26-31-16-6-1-7-17-31)38(49-28-33-20-10-3-11-21-33)40(41)51-30-35-24-14-5-15-25-35/h1-25,36-40,46H,26-30H2/t36-,37-,38+,39+,40-,41+
InChIKey IDKOLYCLYUPSOR-LNQZRZQPSA-N
Literature Reference Author A.SCAFFIDI,B.W.SKELTON,R.V.STICK,A.H.WHITE
Literature Reference Citation AUSTR.J.CHEM.,59,426(2006)
Literature Reference DOI 10.1071/CH06137
Molecular Weight 748.143 g/mol
Sample ID 37815
Solvent D2O