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4-(2,6-DICHLOROPHENYL)-6-(1,2,3,4-TETRAHYDRONAPHTHALEN-6-YL)-2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-IMINO)-PYRIDINE-3-CARBONITRILE

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4-(2,6-DICHLOROPHENYL)-6-(1,2,3,4-TETRAHYDRONAPHTHALEN-6-YL)-2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-IMINO)-PYRIDINE-3-CARBONITRILE
SpectraBase Compound ID GJ5DlInwJ9M
InChI InChI=1S/C36H35Cl2N3O9/c1-18(42)46-17-30-32(47-19(2)43)33(48-20(3)44)34(49-21(4)45)36(50-30)41-35-26(16-39)25(31-27(37)10-7-11-28(31)38)15-29(40-35)24-13-12-22-8-5-6-9-23(22)14-24/h7,10-15,30,32-34,36H,5-6,8-9,17H2,1-4H3,(H,40,41)/t30-,32-,33+,34-,36-/m1/s1
InChIKey YQYOTWOYJNUZBH-YOWWPDGMSA-N
Mol Weight 724.6 g/mol
Molecular Formula C36H35Cl2N3O9
Exact Mass 723.175035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cT2ssMNWN7
Name 4-(2,6-DICHLOROPHENYL)-6-(1,2,3,4-TETRAHYDRONAPHTHALEN-6-YL)-2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-IMINO)-PYRIDINE-3-CARBONITRILE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H35Cl2N3O9
InChI InChI=1S/C36H35Cl2N3O9/c1-18(42)46-17-30-32(47-19(2)43)33(48-20(3)44)34(49-21(4)45)36(50-30)41-35-26(16-39)25(31-27(37)10-7-11-28(31)38)15-29(40-35)24-13-12-22-8-5-6-9-23(22)14-24/h7,10-15,30,32-34,36H,5-6,8-9,17H2,1-4H3,(H,40,41)/t30-,32-,33+,34-,36-/m1/s1
InChIKey YQYOTWOYJNUZBH-YOWWPDGMSA-N
Literature Reference Author M.S.A.MUTAIRI,E.S.A.ABDULLAH,M.E.HAIBA,M.A.KHEDR,W.A.ZAGHARY
Literature Reference Citation MOLECULES,17,4717(2012)
Literature Reference DOI 10.3390/molecules17044717
Molecular Weight 724.595 g/mol
Sample ID 1764
Solvent DMSO-D6