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2-CHLORO-6-(BETA-D-GLUCOPYRANOSYLTHIO)-BENZO-1,4-QUINONE
SpectraBase Compound ID 59iGOKSliX8
InChI InChI=1S/C12H13ClO7S/c13-5-1-4(15)2-7(8(5)16)21-12-11(19)10(18)9(17)6(3-14)20-12/h1-2,6,9-12,14,17-19H,3H2/t6-,9-,10+,11-,12+/m0/s1
InChIKey WIBASXNVWFEWJD-JYKCKQTKSA-N
Mol Weight 336.74 g/mol
Molecular Formula C12H13ClO7S
Exact Mass 336.007052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9i3G8PTFV7q
Name 2-CHLORO-6-(BETA-D-GLUCOPYRANOSYLTHIO)-BENZO-1,4-QUINONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13ClO7S
InChI InChI=1S/C12H13ClO7S/c13-5-1-4(15)2-7(8(5)16)21-12-11(19)10(18)9(17)6(3-14)20-12/h1-2,6,9-12,14,17-19H,3H2/t6-,9-,10+,11-,12+/m0/s1
InChIKey WIBASXNVWFEWJD-JYKCKQTKSA-N
Literature Reference Author M.SCHNABELRAUCH,A.VASELLA,S.G.WITHERS
Literature Reference Citation HELV.CHIM.ACTA,77,778(1994)
Literature Reference DOI 10.1002/hlca.19940770319
Molecular Weight 336.744 g/mol
Solvent D2O
Source File Reference UWSK2908