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3-(3,4-Dimethoxy-phenyl)-2-(2,2,2-trifluoro-acetylamino)-propionic acid ethyl ester

View entire compound with spectra: 2 NMR

3-(3,4-Dimethoxy-phenyl)-2-(2,2,2-trifluoro-acetylamino)-propionic acid ethyl ester
SpectraBase Compound ID 5bYiasHM4Ro
InChI InChI=1S/C15H18F3NO5/c1-4-24-13(20)10(19-14(21)15(16,17)18)7-9-5-6-11(22-2)12(8-9)23-3/h5-6,8,10H,4,7H2,1-3H3,(H,19,21)
InChIKey RYCRRXHVSJUXEA-UHFFFAOYSA-N
Mol Weight 349.31 g/mol
Molecular Formula C15H18F3NO5
Exact Mass 349.113707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7mm2D0Z5Uh
Name 3-(3,4-Dimethoxy-phenyl)-2-(2,2,2-trifluoro-acetylamino)-propionic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.113707168 u
Formula C15H18F3NO5
InChI InChI=1S/C15H18F3NO5/c1-4-24-13(20)10(19-14(21)15(16,17)18)7-9-5-6-11(22-2)12(8-9)23-3/h5-6,8,10H,4,7H2,1-3H3,(H,19,21)
InChIKey RYCRRXHVSJUXEA-UHFFFAOYSA-N
Molecular Weight 349.306 g/mol
SMILES N(C(Cc1ccc(c(c1)OC)OC)C(OCC)=O)C(C(F)(F)F)=O