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SODIUM_3'-CHLORO-4'-(ALPHA-D-MANNOPYRANOSYLOXY)-BIPHENYL-4-CARBOXYLATE
SpectraBase Compound ID ARWFACpTki0
InChI InChI=1S/C19H19ClO8.Na/c20-12-7-11(9-1-3-10(4-2-9)18(25)26)5-6-13(12)27-19-17(24)16(23)15(22)14(8-21)28-19;/h1-7,14-17,19,21-24H,8H2,(H,25,26);/q;+1/p-1
InChIKey ANKKJQZHPLEHGC-UHFFFAOYSA-M
Mol Weight 432.79 g/mol
Molecular Formula C19H18ClNaO8
Exact Mass 432.05879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CG3KdEPlqV
Name SODIUM_3'-CHLORO-4'-(ALPHA-D-MANNOPYRANOSYLOXY)-BIPHENYL-4-CARBOXYLATE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18ClNaO8
InChI InChI=1S/C19H19ClO8.Na/c20-12-7-11(9-1-3-10(4-2-9)18(25)26)5-6-13(12)27-19-17(24)16(23)15(22)14(8-21)28-19;/h1-7,14-17,19,21-24H,8H2,(H,25,26);/q;+1/p-1
InChIKey ANKKJQZHPLEHGC-UHFFFAOYSA-M
Literature Reference Author T.KLEIN,D.ABGOTTSPON,M.WITTWER,S.RABBANI,J.HEROLD,X.JIANG,S. KLEEB,C.LUETHI,M.SCH
Literature Reference Citation J.MED.CHEM.,53,8627(2010)
Literature Reference DOI 10.1021/jm101011y
Molecular Weight 432.790 g/mol
Solvent D2O
Source File Reference UWMZ47661