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METHYL-6-DEOXY-6-[4-(5-TRIFLUOROMETHYL-2(1H)-PYRIDONE-1-YL-METHYLENE)-ANILINO]-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID 89zvWKWwTvA
InChI InChI=1S/C20H23F3N2O6/c1-30-19-18(29)17(28)16(27)14(31-19)8-24-13-5-2-11(3-6-13)9-25-10-12(20(21,22)23)4-7-15(25)26/h2-7,10,14,16-19,24,27-29H,8-9H2,1H3/t14-,16-,17+,18+,19+/m1/s1
InChIKey LETLEXJMTYPKDE-IQRFUGTFSA-N
Mol Weight 444.41 g/mol
Molecular Formula C20H23F3N2O6
Exact Mass 444.150821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Sh62e4EeI1
Name METHYL-6-DEOXY-6-[4-(5-TRIFLUOROMETHYL-2(1H)-PYRIDONE-1-YL-METHYLENE)-ANILINO]-ALPHA-D-MANNOPYRANOSIDE
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23F3N2O6
InChI InChI=1S/C20H23F3N2O6/c1-30-19-18(29)17(28)16(27)14(31-19)8-24-13-5-2-11(3-6-13)9-25-10-12(20(21,22)23)4-7-15(25)26/h2-7,10,14,16-19,24,27-29H,8-9H2,1H3/t14-,16-,17+,18+,19+/m1/s1
InChIKey LETLEXJMTYPKDE-IQRFUGTFSA-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 444.408 g/mol
Sample ID 73044
Solvent CD3OD