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Ethyl 4-(3,4-dimethylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

View entire compound with spectra: 2 NMR

Ethyl 4-(3,4-dimethylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID IaX53JP47I7
InChI InChI=1S/C15H18F3NO4/c1-4-23-13(21)14(22,15(16,17)18)8-12(20)19-11-6-5-9(2)10(3)7-11/h5-7,22H,4,8H2,1-3H3,(H,19,20)
InChIKey ZMKWIGNRQVOGFJ-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 9UKj0znM8oc
Name Ethyl 4-(3,4-dimethylanilino)-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/c1-4-23-13(21)14(22,15(16,17)18)8-12(20)19-11-6-5-9(2)10(3)7-11/h5-7,22H,4,8H2,1-3H3,(H,19,20)
InChIKey ZMKWIGNRQVOGFJ-UHFFFAOYSA-N
Molecular Weight 333.307 g/mol
SMILES N(C(CC(C(F)(F)F)(C(=O)OCC)O)=O)C=1C=C(C)C(=CC1)C