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Butanoic acid, 2-acetyl-4,4,4-trifluoro-3-trifluoromethyl-3-(3-pyridylcarbonylamino)-
SpectraBase Compound ID CqW0dHEiC7U
InChI InChI=1S/C15H14F6N2O4/c1-3-27-12(26)10(8(2)24)13(14(16,17)18,15(19,20)21)23-11(25)9-5-4-6-22-7-9/h4-7,10H,3H2,1-2H3,(H,23,25)
InChIKey MVRKKFNBRPIEIB-UHFFFAOYSA-N
Mol Weight 400.28 g/mol
Molecular Formula C15H14F6N2O4
Exact Mass 400.085776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKj7dxgIMWt
Name Butanoic acid, 2-acetyl-4,4,4-trifluoro-3-trifluoromethyl-3-(3-pyridylcarbonylamino)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14F6N2O4
InChI InChI=1S/C15H14F6N2O4/c1-3-27-12(26)10(8(2)24)13(14(16,17)18,15(19,20)21)23-11(25)9-5-4-6-22-7-9/h4-7,10H,3H2,1-2H3,(H,23,25)
InChIKey MVRKKFNBRPIEIB-UHFFFAOYSA-N
Molecular Weight 400.277 g/mol
SMILES N(C(C(C(=O)OCC)C(=O)C)(C(F)(F)F)C(F)(F)F)C(c1cnccc1)=O
SPLASH splash10-0a4i-9800000000-a9632d76b771b14f5edc
Synonyms 2-Acetyl-4,4,4-trifluoro-3-nicotinamido-3-(trifluoromethyl)butyric acid ethyl ester 2-Acetyl-4,4,4-trifluoro-3-[[oxo(3-pyridinyl)methyl]amino]-3-(trifluoromethyl)butanoic acid ethyl ester Ethyl 2-acetyl-4,4,4-trifluoro-3-(pyridine-3-carbonylamino)-3-(trifluoromethyl)butanoate Ethyl 2-acetyl-4,4,4-trifluoro-3-[(3-pyridinylcarbonyl)amino]-3-(trifluoromethyl)butanoate Ethyl 2-ethanoyl-4,4,4-tris(fluoranyl)-3-(pyridin-3-ylcarbonylamino)-3-(trifluoromethyl)butanoate
Wiley ID 1455825