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3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-[2-(trifluoromethyl)anilino]propionic acid ethyl ester
SpectraBase Compound ID CD1KoalkNd5
InChI InChI=1S/C19H15F7N2O3/c1-2-31-16(30)17(19(24,25)26,28-15(29)11-7-9-12(20)10-8-11)27-14-6-4-3-5-13(14)18(21,22)23/h3-10,27H,2H2,1H3,(H,28,29)
InChIKey QBEOQYYSUBCMGO-UHFFFAOYSA-N
Mol Weight 452.33 g/mol
Molecular Formula C19H15F7N2O3
Exact Mass 452.097089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdOuhGDjCDQ
Name ETHYL 3,3,3-TRIFLUORO-2-(3-FLUOROBENZAMIDO)-2-[2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H15F7N2O3
InChI InChI=1S/C19H15F7N2O3/c1-2-31-16(30)17(19(24,25)26,28-15(29)11-7-9-12(20)10-8-11)27-14-6-4-3-5-13(14)18(21,22)23/h3-10,27H,2H2,1H3,(H,28,29)
InChIKey QBEOQYYSUBCMGO-UHFFFAOYSA-N
Molecular Weight 452.0967
SMILES N(C(C(OCC)=O)(C(F)(F)F)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(F)cc1
SPLASH splash10-00di-4900000000-449e2a536df2ea098ed9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany