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2-[methoxy-[methyl-(4-methylphenyl)amino]methylene]malonic acid bis(2,2,2-trifluoroethyl) ester
SpectraBase Compound ID H6bPu73Ln1H
InChI InChI=1S/C17H17F6NO5/c1-10-4-6-11(7-5-10)24(2)13(27-3)12(14(25)28-8-16(18,19)20)15(26)29-9-17(21,22)23/h4-7H,8-9H2,1-3H3
InChIKey DNNGMMWLYSMUNO-UHFFFAOYSA-N
Mol Weight 429.32 g/mol
Molecular Formula C17H17F6NO5
Exact Mass 429.101092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2gT7RxKnsr
Name 2-[methoxy-[methyl-(4-methylphenyl)amino]methylene]malonic acid bis(2,2,2-trifluoroethyl) ester
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17F6NO5
InChI InChI=1S/C17H17F6NO5/c1-10-4-6-11(7-5-10)24(2)13(27-3)12(14(25)28-8-16(18,19)20)15(26)29-9-17(21,22)23/h4-7H,8-9H2,1-3H3
InChIKey DNNGMMWLYSMUNO-UHFFFAOYSA-N
Literature Reference Author Y.X.LEI,Z.RAPPOPORT
Literature Reference Citation J.ORG.CHEM.,67,6971(2002)
Literature Reference DOI 10.1021/jo0203802
Molecular Weight 429.316 g/mol
Solvent DMSO-D6
Source File Reference UWMS25057