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(2R)-3-hydroxy-2-[[4-methoxy-3-propyl-5-(trifluoromethoxy)benzoyl]amino]propionic acid methyl ester
SpectraBase Compound ID 4i4EYCY902Q
InChI InChI=1S/C16H20F3NO6/c1-4-5-9-6-10(14(22)20-11(8-21)15(23)25-3)7-12(13(9)24-2)26-16(17,18)19/h6-7,11,21H,4-5,8H2,1-3H3,(H,20,22)/t11-/m1/s1
InChIKey IKJRYEXFPSGKEN-LLVKDONJSA-N
Mol Weight 379.33 g/mol
Molecular Formula C16H20F3NO6
Exact Mass 379.124272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FaIbYmHn04H
Name (2R)-3-hydroxy-2-[[4-methoxy-3-propyl-5-(trifluoromethoxy)benzoyl]amino]propionic acid methyl ester
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20F3NO6
InChI InChI=1S/C16H20F3NO6/c1-4-5-9-6-10(14(22)20-11(8-21)15(23)25-3)7-12(13(9)24-2)26-16(17,18)19/h6-7,11,21H,4-5,8H2,1-3H3,(H,20,22)/t11-/m1/s1
InChIKey IKJRYEXFPSGKEN-LLVKDONJSA-N
Literature Reference Author T.KLINE,N.H.ANDERSEN,E.A.HARWOOD,J.BOWMAN,A.MALANDA,S.ENDSLE Y,A.L.ERWIN,M.DOYLE,
Literature Reference Citation J.MED.CHEM.,45,3112(2002)
Literature Reference DOI 10.1021/jm010579r
Molecular Weight 379.333 g/mol
Sample ID 64829
Solvent CDCl3