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Propanoic acid, 3,3,3-trifluoro-2-[(2-phenylacetyl)amino]-2-(2-pyrimidinylamino)-, ethyl ester
SpectraBase Compound ID A0UrEHbtFXX
InChI InChI=1S/C17H17F3N4O3/c1-2-27-14(26)16(17(18,19)20,24-15-21-9-6-10-22-15)23-13(25)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,23,25)(H,21,22,24)
InChIKey COMLSVMXMUQJGL-UHFFFAOYSA-N
Mol Weight 382.34 g/mol
Molecular Formula C17H17F3N4O3
Exact Mass 382.125275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5y1TeLertgv
Name Propanoic acid, 3,3,3-trifluoro-2-[(2-phenylacetyl)amino]-2-(2-pyrimidinylamino)-, ethyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[(1-oxo-2-phenylethyl)amino]-2-(2-pyrimidinylamino)propanoic acid ethyl ester Ethyl 3,3,3-trifluoro-2-[(2-phenylacetyl)amino]-2-(pyrimidin-2-ylamino)propanoate Ethyl 3,3,3-tris(fluoranyl)-2-(2-phenylethanoylamino)-2-(pyrimidin-2-ylamino)propanoate
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Formula C17H17F3N4O3
InChI InChI=1S/C17H17F3N4O3/c1-2-27-14(26)16(17(18,19)20,24-15-21-9-6-10-22-15)23-13(25)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,23,25)(H,21,22,24)
InChIKey COMLSVMXMUQJGL-UHFFFAOYSA-N
Molecular Weight 382.343 g/mol
SMILES N(C(C(OCC)=O)(C(F)(F)F)Nc1ncccn1)C(=O)Cc1ccccc1
SPLASH splash10-0006-6922000000-aa66436ac3f2706d9329
Source of Spectrum IY-2-4907-2
Wiley ID 1657055