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Ethyl 2-(4-chloroanilino)-3,3,3-trifluoro-2-[(3-pyridinylcarbonyl)amino]propanoate
SpectraBase Compound ID 5TvlO8G5QP6
InChI InChI=1S/C17H15ClF3N3O3/c1-2-27-15(26)16(17(19,20)21,23-13-7-5-12(18)6-8-13)24-14(25)11-4-3-9-22-10-11/h3-10,23H,2H2,1H3,(H,24,25)
InChIKey LAJXPDYRQBTCJZ-UHFFFAOYSA-N
Mol Weight 401.77 g/mol
Molecular Formula C17H15ClF3N3O3
Exact Mass 401.075404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICXRVczYPT5
Name ETHYL 2-(4-CHLOROANILINO)-3,3,3-TRIFLUORO-2-NICOTINAMIDOPROPIONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H15ClF3N3O3
InChI InChI=1S/C17H15ClF3N3O3/c1-2-27-15(26)16(17(19,20)21,23-13-7-5-12(18)6-8-13)24-14(25)11-4-3-9-22-10-11/h3-10,23H,2H2,1H3,(H,24,25)
InChIKey LAJXPDYRQBTCJZ-UHFFFAOYSA-N
Molecular Weight 401.0751
SMILES N(C(Nc1ccc(Cl)cc1)(C(F)(F)F)C(OCC)=O)C(=O)c1cnccc1
SPLASH splash10-0a4i-6911000000-57732d8d87fec931d8f1
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany