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(E)-3-((S)-1-BENZYLOXYCARBONYL-2-PHENYLETHYLCARBAMOYL)-ACRYLIC_ACID
SpectraBase Compound ID KEwtns269qJ
InChI InChI=1S/C20H19NO5/c22-18(11-12-19(23)24)21-17(13-15-7-3-1-4-8-15)20(25)26-14-16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,21,22)(H,23,24)/b12-11+/t17-/m0/s1
InChIKey QNBMEOCIOHQONT-FLVLSHQESA-N
Mol Weight 353.37 g/mol
Molecular Formula C20H19NO5
Exact Mass 353.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C45BCbjBxLw
Name (E)-3-((S)-1-BENZYLOXYCARBONYL-2-PHENYLETHYLCARBAMOYL)-ACRYLIC_ACID
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19NO5
InChI InChI=1S/C20H19NO5/c22-18(11-12-19(23)24)21-17(13-15-7-3-1-4-8-15)20(25)26-14-16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,21,22)(H,23,24)/b12-11+/t17-/m0/s1
InChIKey QNBMEOCIOHQONT-FLVLSHQESA-N
Literature Reference Author A.BREUNING,B.DEGEL,F.SCHULZ,C.BUECHOLD,M.STEMPKA,U.MACHON,S. HEPPNER,C.GELHAUS,M.
Literature Reference Citation J.MED.CHEM.,53,1951(2010)
Literature Reference DOI 10.1021/jm900946n
Molecular Weight 353.375 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46492