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Ethyl 2-(3-chloro-4-fluoroanilino)-3,3,3-trifluoro-2-nicotinamidopropionate
SpectraBase Compound ID KytUf9BHwFV
InChI InChI=1S/C17H14ClF4N3O3/c1-2-28-15(27)16(17(20,21)22,24-11-5-6-13(19)12(18)8-11)25-14(26)10-4-3-7-23-9-10/h3-9,24H,2H2,1H3,(H,25,26)
InChIKey XVXAHEDOXPVSKL-UHFFFAOYSA-N
Mol Weight 419.76 g/mol
Molecular Formula C17H14ClF4N3O3
Exact Mass 419.065982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLljNVpE0yO
Name ETHYL 2-(3-CHLORO-4-FLUOROANILINO)-3,3,3-TRIFLUORO-2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H14ClF4N3O3
InChI InChI=1S/C17H14ClF4N3O3/c1-2-28-15(27)16(17(20,21)22,24-11-5-6-13(19)12(18)8-11)25-14(26)10-4-3-7-23-9-10/h3-9,24H,2H2,1H3,(H,25,26)
InChIKey XVXAHEDOXPVSKL-UHFFFAOYSA-N
Molecular Weight 419.0657
SMILES N(C(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(OCC)=O)C(=O)c1cnccc1
SPLASH splash10-0a4i-5911000000-5a1353903882030bd69f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany