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

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1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid
SpectraBase Compound ID 5ULQycGWf3W
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)
InChIKey AAWZDTNXLSGCEK-UHFFFAOYSA-N
Mol Weight 192.17 g/mol
Molecular Formula C7H12O6
Exact Mass 192.063388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHZ6isbsbSC
Name 1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid
CAS Registry Number 36413-60-2
Comments PH = 0.7, IN HCL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12O6
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)
InChIKey AAWZDTNXLSGCEK-UHFFFAOYSA-N
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