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D-MYO-INOSITOL-3-PHOSPHATE-BISCYCLOHEXYLAMINE-SALT

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D-MYO-INOSITOL-3-PHOSPHATE-BISCYCLOHEXYLAMINE-SALT
SpectraBase Compound ID DfNw9v2RZ5u
InChI InChI=1S/2C6H13N.C6H13O9P/c2*7-6-4-2-1-3-5-6;7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h2*6H,1-5,7H2;1-11H,(H2,12,13,14)/t;;1-,2-,3+,4-,5-,6-/m..0/s1
InChIKey IMIHZMWNWGIJKQ-FMJFWECHSA-N
Mol Weight 458.49 g/mol
Molecular Formula C18H39N2O9P
Exact Mass 458.239318 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjGKXBBCJBv
Name D-MYO-INOSYTOL-1-PHOSPHATE-BISCYCLOHEXYLAMINE-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H39N2O9P
InChI InChI=1S/2C6H13N.C6H13O9P/c2*7-6-4-2-1-3-5-6;7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h2*6H,1-5,7H2;1-11H,(H2,12,13,14)/t;;1-,2-,3+,4-,5-,6-/m..0/s1
InChIKey IMIHZMWNWGIJKQ-FMJFWECHSA-N
Literature Reference Author B.R.SCULIMBRENE,S.J.MILLER
Literature Reference Citation J.AM.CHEM.SOC.,123,10125(2001)
Literature Reference DOI 10.1021/ja016779+
Solvent D2O
Source File Reference UWLU32588