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3-[(4-bromophenyl)amino]-2-cyano-3-keto-propionic acid [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] ester
SpectraBase Compound ID K6iutf1tPSR
InChI InChI=1S/C13H7BrF6N2O3/c14-6-1-3-7(4-2-6)22-9(23)8(5-21)10(24)25-11(12(15,16)17)13(18,19)20/h1-4,8,11H,(H,22,23)
InChIKey VSBMKWYCUSEQND-UHFFFAOYSA-N
Mol Weight 433.1 g/mol
Molecular Formula C13H7BrF6N2O3
Exact Mass 431.954424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27GCVGdlpWw
Name 3-[(4-bromophenyl)amino]-2-cyano-3-keto-propionic acid [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7BrF6N2O3
InChI InChI=1S/C13H7BrF6N2O3/c14-6-1-3-7(4-2-6)22-9(23)8(5-21)10(24)25-11(12(15,16)17)13(18,19)20/h1-4,8,11H,(H,22,23)
InChIKey VSBMKWYCUSEQND-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 433.105 g/mol
Source File Reference MHKO26893