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1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid, anion

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1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid, anion
SpectraBase Compound ID 5ULRHyQpOs2
InChI InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/p-1
InChIKey AAWZDTNXLSGCEK-UHFFFAOYSA-M
Mol Weight 191.16 g/mol
Molecular Formula C7H11O6
Exact Mass 191.055563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9lMwwXHYpJZ
Name 1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid, anion
CAS Registry Number 36413-60-2#
Comments PH = 4.6, LITHIUM SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H11O6
InChI InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/p-1
InChIKey AAWZDTNXLSGCEK-UHFFFAOYSA-M
Literature Reference C.J. Kelley, R.C. Harruff, M. Carmack, J. Org. Chem. 41, 449 (1976).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O