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MYO-INOSITOL-1,2,4,5-TETRAKIS-PHOSPHATE-SODIUM-SALT
SpectraBase Compound ID 3IYvLJXBJem
InChI InChI=1S/C6H16O18P4.8Na/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14;;;;;;;;/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8/t1-,2-,3-,4-,5-,6+;;;;;;;;/m1......../s1
InChIKey VIJKPWXGSVVAAF-NOVKAFAZSA-F
Mol Weight 675.92520225 g/mol
Molecular Formula C6H8Na8O18P4
Exact Mass 675.784266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9m0LmqSqAzT
Name MYO-INOSITOL-1,2,4,5-TETRAKIS-PHOSPHATE-SODIUM-SALT
Compound Number 13C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H8Na8O18P4
InChI InChI=1S/C6H16O18P4.8Na/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14;;;;;;;;/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8/t1-,2-,3-,4-,5-,6+;;;;;;;;/m1......../s1
InChIKey VIJKPWXGSVVAAF-NOVKAFAZSA-F
Literature Reference Author S.K.CHUNG,Y.U.KWON,J.H.SHIN,Y.T.CHANG,C.LEE,B.G.SHIN,K.C.KIM ,M.J.KIM
Literature Reference Citation J.ORG.CHEM.,67,5626(2002)
Literature Reference DOI 10.1021/jo0257694
Molecular Weight 675.932 g/mol
Solvent D2O;PH=10
Source File Reference UWVN23525