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Propanoic acid, 2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(2-pyrimidinylamino)-, ethyl ester
SpectraBase Compound ID KHV6tDGBN7X
InChI InChI=1S/C16H14ClF3N4O3/c1-2-27-13(26)15(16(18,19)20,24-14-21-8-5-9-22-14)23-12(25)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKey SEPGRUHGERDJLQ-UHFFFAOYSA-N
Mol Weight 402.76 g/mol
Molecular Formula C16H14ClF3N4O3
Exact Mass 402.070653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCtxh6K6blW
Name Propanoic acid, 2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(2-pyrimidinylamino)-, ethyl ester
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Formula C16H14ClF3N4O3
InChI InChI=1S/C16H14ClF3N4O3/c1-2-27-13(26)15(16(18,19)20,24-14-21-8-5-9-22-14)23-12(25)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKey SEPGRUHGERDJLQ-UHFFFAOYSA-N
Molecular Weight 402.761 g/mol
SMILES N(C(C(OCC)=O)(C(F)(F)F)Nc1ncccn1)C(=O)c1ccccc1Cl
SPLASH splash10-002r-2903000000-f26e60a157644f3a2105
Source of Spectrum IY-2-4908-1
Synonyms 2-[[(2-chlorophenyl)-oxomethyl]amino]-3,3,3-trifluoro-2-(2-pyrimidinylamino)propanoic acid ethyl ester Ethyl 2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate Ethyl 2-[(2-chlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)-2-(pyrimidin-2-ylamino)propanoate
Wiley ID 1657064