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(2S)-3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid
SpectraBase Compound ID CMGCw1thK8w
InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)12(21)18-10(11(19)20)5-7-6-17-9-4-2-1-3-8(7)9/h1-4,6,10,17H,5H2,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKey PCGKHZTZDMCZNE-JTQLQIEISA-N
Mol Weight 300.24 g/mol
Molecular Formula C13H11F3N2O3
Exact Mass 300.072177 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Sw5pZdiR0b
Name (2S)-3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11F3N2O3
InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)12(21)18-10(11(19)20)5-7-6-17-9-4-2-1-3-8(7)9/h1-4,6,10,17H,5H2,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKey PCGKHZTZDMCZNE-JTQLQIEISA-N
Literature Reference Author T.V.ABRAMOVA,O.B.MOROZOVA,V.N.SILNIKOV,A.V.YURKOVSKAYA
Literature Reference Citation BEIL.J.ORG.CHEM.,9,2898(2013)
Literature Reference DOI 10.3762/bjoc.9.326
Solvent DMSO-D6
Source File Reference UWLU77949