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Ethyl 2-[(4-butoxyphenyl)amino]-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate
SpectraBase Compound ID GwbwrPXcPIu
InChI InChI=1S/C20H29F3N2O4/c1-5-7-12-29-16-10-8-15(9-11-16)24-19(20(21,22)23,18(27)28-6-2)25-17(26)13-14(3)4/h8-11,14,24H,5-7,12-13H2,1-4H3,(H,25,26)
InChIKey OPMNVDRFFLNVHP-UHFFFAOYSA-N
Mol Weight 418.46 g/mol
Molecular Formula C20H29F3N2O4
Exact Mass 418.207942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ju6niRMtaHE
Name Ethyl 2-[(4-butoxyphenyl)amino]-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate
Alternate Name(s) Propanoic acid, 2-[(4-butoxyphenyl)amino]-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]-, ethyl ester 2-(4-butoxyanilino)-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]propanoic acid ethyl ester Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate Ethyl 2-[(4-butoxyphenyl)amino]-3,3,3-tris(fluoranyl)-2-(3-methylbutanoylamino)propanoate
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Formula C20H29F3N2O4
InChI InChI=1S/C20H29F3N2O4/c1-5-7-12-29-16-10-8-15(9-11-16)24-19(20(21,22)23,18(27)28-6-2)25-17(26)13-14(3)4/h8-11,14,24H,5-7,12-13H2,1-4H3,(H,25,26)
InChIKey OPMNVDRFFLNVHP-UHFFFAOYSA-N
Molecular Weight 418.457 g/mol
SMILES N(C(C(OCC)=O)(C(F)(F)F)Nc1ccc(cc1)OCCCC)C(=O)CC(C)C
SPLASH splash10-0bt9-9642000000-651665df389e2b2f615c
Source of Spectrum IY-2-5062-9
Wiley ID 1658612