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3-(2-chloro-5-fluoro-6-pyrrolidin-1-yl-3-pyridyl)-3-keto-propionic acid ethyl ester
SpectraBase Compound ID 1DKwjxfQBaj
InChI InChI=1S/C14H16ClFN2O3/c1-2-21-12(20)8-11(19)9-7-10(16)14(17-13(9)15)18-5-3-4-6-18/h7H,2-6,8H2,1H3
InChIKey RRCFUYQDFRUGBM-UHFFFAOYSA-N
Mol Weight 314.74 g/mol
Molecular Formula C14H16ClFN2O3
Exact Mass 314.083348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdF2v8WT5Lm
Name 3-(2-chloro-5-fluoro-6-pyrrolidin-1-yl-3-pyridyl)-3-keto-propionic acid ethyl ester
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16ClFN2O3
InChI InChI=1S/C14H16ClFN2O3/c1-2-21-12(20)8-11(19)9-7-10(16)14(17-13(9)15)18-5-3-4-6-18/h7H,2-6,8H2,1H3
InChIKey RRCFUYQDFRUGBM-UHFFFAOYSA-N
Literature Reference Author W.J.SANDERS,X.ZHANG,R.WAGNER
Literature Reference Citation ORG.LETTERS,6,4527(2004)
Literature Reference DOI 10.1021/ol0481378
Molecular Weight 314.744 g/mol
Sample ID 49634
Solvent DMSO-D6