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3-[(4-bromophenyl)amino]-2-cyano-3-keto-propionic acid 2,2,2-trifluoroethyl ester
SpectraBase Compound ID HVI8WV9vyc7
InChI InChI=1S/C12H8BrF3N2O3/c13-7-1-3-8(4-2-7)18-10(19)9(5-17)11(20)21-6-12(14,15)16/h1-4,9H,6H2,(H,18,19)
InChIKey DTZYUUQRORLSKK-UHFFFAOYSA-N
Mol Weight 365.11 g/mol
Molecular Formula C12H8BrF3N2O3
Exact Mass 363.96704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7R2POtYEUpl
Name 3-[(4-bromophenyl)amino]-2-cyano-3-keto-propionic acid 2,2,2-trifluoroethyl ester
Compound Number 6D
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Formula C12H8BrF3N2O3
InChI InChI=1S/C12H8BrF3N2O3/c13-7-1-3-8(4-2-7)18-10(19)9(5-17)11(20)21-6-12(14,15)16/h1-4,9H,6H2,(H,18,19)
InChIKey DTZYUUQRORLSKK-UHFFFAOYSA-N
Literature Reference Author Y.X.LEI,D.CASARINI,G.CERIONI,Z.RAPPOPORT
Literature Reference Citation J.ORG.CHEM.,68,947(2003)
Literature Reference DOI 10.1021/jo020464a
Molecular Weight 365.106 g/mol
Solvent THF-D8
Source File Reference UWLU22798