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Ethyl 5-carbomoyl-4-(p-nitrophenyl)-6-oxo-2-trifluoromethyl-1,4,5,6-tetrahydropyridine-3-carboxylate
SpectraBase Compound ID AHkAXvErkBo
InChI InChI=1S/C16H14F3N3O6/c1-2-28-15(25)10-9(7-3-5-8(6-4-7)22(26)27)11(13(20)23)14(24)21-12(10)16(17,18)19/h3-6,9,11H,2H2,1H3,(H2,20,23)(H,21,24)
InChIKey AEZTWRIXTRTIIK-UHFFFAOYSA-N
Mol Weight 401.3 g/mol
Molecular Formula C16H14F3N3O6
Exact Mass 401.08347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFbfnbkY5h6
Name Ethyl 5-carbomoyl-4-(p-nitrophenyl)-6-oxo-2-trifluoromethyl-1,4,5,6-tetrahydropyridine-3-carboxylate
Alternate Name(s) Ethyl 5-(aminocarbonyl)-4-(4-nitrophenyl)-6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14F3N3O6
InChI InChI=1S/C16H14F3N3O6/c1-2-28-15(25)10-9(7-3-5-8(6-4-7)22(26)27)11(13(20)23)14(24)21-12(10)16(17,18)19/h3-6,9,11H,2H2,1H3,(H2,20,23)(H,21,24)
InChIKey AEZTWRIXTRTIIK-UHFFFAOYSA-N
Molecular Weight 401.298 g/mol
SMILES N1C(C(C(=O)N)C(C(=C1C(F)(F)F)C(=O)OCC)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0a4i-1009000000-3a74a58eefadb023fb4a
Source of Spectrum F-62-2263-5
Wiley ID 1632439