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4-Hydroxy-benzoic acid, B-D-glucoside 6'-sulfate

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4-Hydroxy-benzoic acid, B-D-glucoside 6'-sulfate
SpectraBase Compound ID 9u6prtcCd0L
InChI InChI=1S/C13H16O11S/c14-9-8(5-22-25(19,20)21)24-13(11(16)10(9)15)23-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)(H,19,20,21)/t8-,9-,10+,11-,13-/m1/s1
InChIKey BJNRLZLNIUCLKY-BZNQNGANSA-N
Mol Weight 380.32 g/mol
Molecular Formula C13H16O11S
Exact Mass 380.041332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJwYMhWyP20
Name 4-Hydroxy-benzoic acid, B-D-glucoside 6'-sulfate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O11S
InChI InChI=1S/C13H16O11S/c14-9-8(5-22-25(19,20)21)24-13(11(16)10(9)15)23-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)(H,19,20,21)/t8-,9-,10+,11-,13-/m1/s1
InChIKey BJNRLZLNIUCLKY-BZNQNGANSA-N
Instrument Name Bruker WM-300
Literature Reference H. Schildknecht, K. Schumacher, Chemiker-Zeitung 107, 233 (1983).
NMR Standard TMS-PRSO3 Na
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O