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1D-Myo-inositol 1,4,5-tris(dihydrogen phosphate) trianion

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1D-Myo-inositol 1,4,5-tris(dihydrogen phosphate) trianion
SpectraBase Compound ID CsdsBYV8oke
InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-3
InChIKey MMWCIQZXVOZEGG-UHFFFAOYSA-K
Mol Weight 417.07 g/mol
Molecular Formula C6H12O15P3
Exact Mass 416.938906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEPs6A4zPw
Name 1D-Myo-inositol 1,4,5-tris(dihydrogen phosphate) trianion
Comments AMMONIUM SALT, PD 6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H12O15P3
InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-3
InChIKey MMWCIQZXVOZEGG-UHFFFAOYSA-K
Instrument Name Jeol GX-400
Literature Reference S. Ozaki, Y. Kondo, N. Shiotani, J. Chem. Soc. Perkin I 729 (1992).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O