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Ethyl 4-(4-ethylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID CBEpqMdDyE0
InChI InChI=1S/C15H18F3NO4/c1-3-10-5-7-11(8-6-10)19-12(20)9-14(22,15(16,17)18)13(21)23-4-2/h5-8,22H,3-4,9H2,1-2H3,(H,19,20)
InChIKey KIIKXSGXXCUFQT-UHFFFAOYSA-N
Mol Weight 333.31 g/mol
Molecular Formula C15H18F3NO4
Exact Mass 333.118793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pWVSb21LZq
Name Ethyl 4-(4-ethylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Comments Computed using HOSE algorithm
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Exact Mass 333.118792549 u
Formula C15H18F3NO4
InChI InChI=1S/C15H18F3NO4/c1-3-10-5-7-11(8-6-10)19-12(20)9-14(22,15(16,17)18)13(21)23-4-2/h5-8,22H,3-4,9H2,1-2H3,(H,19,20)
InChIKey KIIKXSGXXCUFQT-UHFFFAOYSA-N
Molecular Weight 333.307 g/mol
SMILES N(C(CC(C(F)(F)F)(C(=O)OCC)O)=O)C1=CC=C(C=C1)CC