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3-DEOXY-D-MYO-INOSITOL-1-PHOSPHATE-BISCYCLOHEXYLAMINE-SALT
SpectraBase Compound ID JMemtlkRtoF
InChI InChI=1S/2C6H13N.C6H13O8P/c2*7-6-4-2-1-3-5-6;7-2-1-3(8)6(5(10)4(2)9)14-15(11,12)13/h2*6H,1-5,7H2;2-10H,1H2,(H2,11,12,13)/t;;2-,3-,4+,5-,6-/m..0/s1
InChIKey VIXQIFFIVMSTPG-YMECNLSJSA-N
Mol Weight 442.49 g/mol
Molecular Formula C18H39N2O8P
Exact Mass 442.244403 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lr22BWwYPUW
Name 3-DEOXY-D-MYO-INOSITOL-1-PHOSPHATE-BISCYCLOHEXYLAMINE-SALT
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H39N2O8P
InChI InChI=1S/2C6H13N.C6H13O8P/c2*7-6-4-2-1-3-5-6;7-2-1-3(8)6(5(10)4(2)9)14-15(11,12)13/h2*6H,1-5,7H2;2-10H,1H2,(H2,11,12,13)/t;;2-,3-,4+,5-,6-/m..0/s1
InChIKey VIXQIFFIVMSTPG-YMECNLSJSA-N
Literature Reference Author A.J.MORGAN,Y.K.WANG,M.F.ROBERTS,S.J.MILLER
Literature Reference Citation J.AM.CHEM.SOC.,126,15370(2004)
Literature Reference DOI 10.1021/ja047360x
Solvent D2O
Source File Reference UWLU34840