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Ethyl 2-butyramido-3,3,3-trifluoro-2-(o-toluidino)propionate
SpectraBase Compound ID 7eBPGlG3soO
InChI InChI=1S/C16H21F3N2O3/c1-4-8-13(22)21-15(16(17,18)19,14(23)24-5-2)20-12-10-7-6-9-11(12)3/h6-7,9-10,20H,4-5,8H2,1-3H3,(H,21,22)
InChIKey BRRRCMUQCMQRSZ-UHFFFAOYSA-N
Mol Weight 346.35 g/mol
Molecular Formula C16H21F3N2O3
Exact Mass 346.150427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiZQNKu70Rd
Name Ethyl 2-butyramido-3,3,3-trifluoro-2-(o-toluidino)propionate
Comments Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1469174 moved to the Legacy library
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Formula C16H21F3N2O3
InChI InChI=1S/C16H21F3N2O3/c1-4-8-13(22)21-15(16(17,18)19,14(23)24-5-2)20-12-10-7-6-9-11(12)3/h6-7,9-10,20H,4-5,8H2,1-3H3,(H,21,22)
InChIKey BRRRCMUQCMQRSZ-UHFFFAOYSA-N
Molecular Weight 346.350 g/mol
SMILES N(c1c(cccc1)C)C(C(=O)OCC)(C(F)(F)F)NC(=O)CCC
SPLASH splash10-0f6x-9530000000-ff6b627f04810db872f4
Synonyms 2-Butyramido-3,3,3-trifluoro-2-(o-toluidino)propionic acid ethyl ester 3,3,3-trifluoro-2-(2-methylanilino)-2-(1-oxobutylamino)propanoic acid ethyl ester Ethyl 2-(butanoylamino)-3,3,3-trifluoro-2-(2-methylanilino)propanoate Ethyl 2-(butanoylamino)-3,3,3-tris(fluoranyl)-2-[(2-methylphenyl)amino]propanoate Ethyl 2-(butyrylamino)-3,3,3-trifluoro-2-(2-toluidino)propanoate
Wiley ID 1821436