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2,5-BIS-(BETA-D-GLUCOPYRANOSYLTHIO)-BENZENE-1,4-DIOL

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2,5-BIS-(BETA-D-GLUCOPYRANOSYLTHIO)-BENZENE-1,4-DIOL
SpectraBase Compound ID 3aJFDa7g0qg
InChI InChI=1S/C18H26O12S2/c19-3-6-10(22)13(25)15(27)17(29-6)31-8-1-5(21)2-9(12(8)24)32-18-16(28)14(26)11(23)7(4-20)30-18/h1-2,6-7,10-11,13-28H,3-4H2/t6-,7-,10-,11-,13+,14+,15-,16-,17+,18+/m0/s1
InChIKey SMSOTGCPCNZRJD-LIIULUNVSA-N
Mol Weight 498.51 g/mol
Molecular Formula C18H26O12S2
Exact Mass 498.086569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4n8TZQOeFL7
Name 2,5-BIS-(BETA-D-GLUCOPYRANOSYLTHIO)-BENZENE-1,4-DIOL
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26O12S2
InChI InChI=1S/C18H26O12S2/c19-3-6-10(22)13(25)15(27)17(29-6)31-8-1-5(21)2-9(12(8)24)32-18-16(28)14(26)11(23)7(4-20)30-18/h1-2,6-7,10-11,13-28H,3-4H2/t6-,7-,10-,11-,13+,14+,15-,16-,17+,18+/m0/s1
InChIKey SMSOTGCPCNZRJD-LIIULUNVSA-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 498.517 g/mol
Solvent D2O
Source File Reference UWSK2911