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4-O-(3,5-Dihydroxy-benzoic acid)-B-D-glucuronide dianion

View entire compound with spectra: 1 NMR

4-O-(3,5-Dihydroxy-benzoic acid)-B-D-glucuronide dianion
SpectraBase Compound ID ANTMwf56o2I
InChI InChI=1S/C13H14O11/c14-4-1-3(11(19)20)2-5(15)9(4)23-13-8(18)6(16)7(17)10(24-13)12(21)22/h1-2,6-8,10,13-18H,(H,19,20)(H,21,22)/p-2/t6-,7-,8+,10-,13+/m0/s1
InChIKey DSZHBCQGMXJFGB-UFWLATCBSA-L
Mol Weight 344.23 g/mol
Molecular Formula C13H12O11
Exact Mass 344.037961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDAXiY1H8LU
Name 4-O-(3,5-Dihydroxy-benzoic acid)-B-D-glucuronide dianion
Comments DIPOTASSIUM SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12O11
InChI InChI=1S/C13H14O11/c14-4-1-3(11(19)20)2-5(15)9(4)23-13-8(18)6(16)7(17)10(24-13)12(21)22/h1-2,6-8,10,13-18H,(H,19,20)(H,21,22)/p-2/t6-,7-,8+,10-,13+/m0/s1
InChIKey DSZHBCQGMXJFGB-UFWLATCBSA-L
Literature Reference H. Schildknecht, W. Bender, Angew. Chem. 818 (1984).
NMR Standard TMS-Propi Na
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O