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4-Hydroxy-3-(2',2',2'-trifluoroacetylamino)butanoic acid - benzyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Hydroxy-3-(2',2',2'-trifluoroacetylamino)butanoic acid - benzyl ester
SpectraBase Compound ID ITRba0EotWU
InChI InChI=1S/C13H14F3NO4/c14-13(15,16)12(20)17-10(7-18)6-11(19)21-8-9-4-2-1-3-5-9/h1-5,10,18H,6-8H2,(H,17,20)
InChIKey DZFWFAOXFINBEG-UHFFFAOYSA-N
Mol Weight 305.25 g/mol
Molecular Formula C13H14F3NO4
Exact Mass 305.087492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GP0w4xqf9lC
Name 4-Hydroxy-3-(2',2',2'-trifluoroacetylamino)butanoic acid - benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 305.087492420 u
Formula C13H14F3NO4
InChI InChI=1S/C13H14F3NO4/c14-13(15,16)12(20)17-10(7-18)6-11(19)21-8-9-4-2-1-3-5-9/h1-5,10,18H,6-8H2,(H,17,20)
InChIKey DZFWFAOXFINBEG-UHFFFAOYSA-N
Molecular Weight 305.253 g/mol
SMILES C(C(NC(CC(=O)OCC=1C=CC=CC1)CO)=O)(F)(F)F