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METHYL-6-DEOXY-6-[3-CHLORO-4-(5-TRIFLUOROMETHYL-2(1H)-PYRIDONE-1-YL)-ANILINO]-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 3Z2SOGHWYI2
InChI InChI=1S/C19H20ClF3N2O6/c1-30-18-17(29)16(28)15(27)13(31-18)7-24-10-3-4-12(11(20)6-10)25-8-9(19(21,22)23)2-5-14(25)26/h2-6,8,13,15-18,24,27-29H,7H2,1H3/t13-,15-,16+,17-,18+/m1/s1
InChIKey FMPSBEXNUPAAEY-LHKMKVQPSA-N
Mol Weight 464.83 g/mol
Molecular Formula C19H20ClF3N2O6
Exact Mass 464.096199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID abX6XXLY69
Name METHYL-6-DEOXY-6-[3-CHLORO-4-(5-TRIFLUOROMETHYL-2(1H)-PYRIDONE-1-YL)-ANILINO]-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20ClF3N2O6
InChI InChI=1S/C19H20ClF3N2O6/c1-30-18-17(29)16(28)15(27)13(31-18)7-24-10-3-4-12(11(20)6-10)25-8-9(19(21,22)23)2-5-14(25)26/h2-6,8,13,15-18,24,27-29H,7H2,1H3/t13-,15-,16+,17-,18+/m1/s1
InChIKey FMPSBEXNUPAAEY-LHKMKVQPSA-N
Literature Reference Author Q.LOU,X.MENG,Z.LAO,L.XUAN,J.BAI,Q.HOU,G.HU,R.LUO,L.TAO,Z.LI
Literature Reference Citation MOLECULES,17,884(2012)
Literature Reference DOI 10.3390/molecules17010884
Molecular Weight 464.826 g/mol
Sample ID 73037
Solvent CD3OD