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Propanoic acid, 2-[(3,4-dimethylphenyl)amino]-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]-, ethyl ester
SpectraBase Compound ID IaCCwqtBfkH
InChI InChI=1S/C18H25F3N2O3/c1-6-26-16(25)17(18(19,20)21,23-15(24)9-11(2)3)22-14-8-7-12(4)13(5)10-14/h7-8,10-11,22H,6,9H2,1-5H3,(H,23,24)
InChIKey SGMPBCFQPFNLES-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C18H25F3N2O3
Exact Mass 374.181727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KYaWiqxTsG
Name Propanoic acid, 2-[(3,4-dimethylphenyl)amino]-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]-, ethyl ester
Alternate Name(s) 2-(3,4-dimethylanilino)-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]propanoic acid ethyl ester Ethyl 2-(3,4-dimethylanilino)-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate Ethyl 2-[(3,4-dimethylphenyl)amino]-3,3,3-tris(fluoranyl)-2-(3-methylbutanoylamino)propanoate
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Formula C18H25F3N2O3
InChI InChI=1S/C18H25F3N2O3/c1-6-26-16(25)17(18(19,20)21,23-15(24)9-11(2)3)22-14-8-7-12(4)13(5)10-14/h7-8,10-11,22H,6,9H2,1-5H3,(H,23,24)
InChIKey SGMPBCFQPFNLES-UHFFFAOYSA-N
Molecular Weight 374.404 g/mol
SMILES N(C(=O)CC(C)C)C(C(OCC)=O)(C(F)(F)F)Nc1ccc(c(c1)C)C
SPLASH splash10-01b9-2292000000-7ee9a0a673abd631f482
Source of Spectrum IY-2-4910-3
Wiley ID 1657086