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Glucobrassicin anion
SpectraBase Compound ID 16LEBtn8spM
InChI InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/p-1/b18-12-
InChIKey DNDNWOWHUWNBCK-PDGQHHTCSA-M
Mol Weight 447.45 g/mol
Molecular Formula C16H19N2O9S2
Exact Mass 447.053198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Be7zIllMXEQ
Name Glucobrassicin anion
Comments TETRAMETHYLAMMONIUM SALT, GLUCOSE SIGNALS AT 82.3-61.4 PPM
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Formula C16H19N2O9S2
InChI InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/p-1/b18-12-
InChIKey DNDNWOWHUWNBCK-PDGQHHTCSA-M
Instrument Name Bruker WH-200
Literature Reference A.B. Hanley, K.R. Parsley, J.A.Lewis, J. Chem. Soc. Perkin I 2273 (1990).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported