John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=C0e5zLVN2dm SpectraBase Spectrum ID=10cD3nnOvbq

(accessed ).
METHYL-6-DEOXY-6-[3-(5-TRIFLUOROMETHYL-2(1H)-PYRIDONE-1-YL-METHYLENE)-ANILINO]-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID C0e5zLVN2dm
InChI InChI=1S/2C20H23F3N2O6/c2*1-30-19-18(29)17(28)16(27)14(31-19)8-24-13-4-2-3-11(7-13)9-25-10-12(20(21,22)23)5-6-15(25)26/h2*2-7,10,14,16-19,24,27-29H,8-9H2,1H3/t2*14-,16-,17+,18+,19+/m11/s1
InChIKey KEYMAWQOXVTAQI-QFXCHQRASA-N
Mol Weight 888.81 g/mol
Molecular Formula C40H46F6N4O12
Exact Mass 888.301643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10cD3nnOvbq
Name METHYL-6-DEOXY-6-[3-(5-TRIFLUOROMETHYL-2(1H)-PYRIDONE-1-YL-METHYLENE)-ANILINO]-ALPHA-D-MANNOPYRANOSIDE
Compound Number 17B
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46F6N4O12
InChI InChI=1S/2C20H23F3N2O6/c2*1-30-19-18(29)17(28)16(27)14(31-19)8-24-13-4-2-3-11(7-13)9-25-10-12(20(21,22)23)5-6-15(25)26/h2*2-7,10,14,16-19,24,27-29H,8-9H2,1H3/t2*14-,16-,17+,18+,19+/m11/s1
InChIKey KEYMAWQOXVTAQI-QFXCHQRASA-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 888.815 g/mol
Sample ID 73043
Solvent CD3OD
SpectraBase Batch ID 82zbaAz3yJ8