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(S,E)-3-((S)-1-BENZYLOXYCARBONYL-2-PHENYLETHYLCARBAMOYL)-ACRYLIC_ACID_ETHYLESTER
SpectraBase Compound ID DExmdVujqpM
InChI InChI=1S/C22H23NO5/c1-2-27-21(25)14-13-20(24)23-19(15-17-9-5-3-6-10-17)22(26)28-16-18-11-7-4-8-12-18/h3-14,19H,2,15-16H2,1H3,(H,23,24)/b14-13+/t19-/m0/s1
InChIKey BABVEBNJYXWYQX-KQDNUWKFSA-N
Mol Weight 381.43 g/mol
Molecular Formula C22H23NO5
Exact Mass 381.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CkQj8QUYote
Name (S,E)-3-((S)-1-BENZYLOXYCARBONYL-2-PHENYLETHYLCARBAMOYL)-ACRYLIC_ACID_ETHYLESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23NO5
InChI InChI=1S/C22H23NO5/c1-2-27-21(25)14-13-20(24)23-19(15-17-9-5-3-6-10-17)22(26)28-16-18-11-7-4-8-12-18/h3-14,19H,2,15-16H2,1H3,(H,23,24)/b14-13+/t19-/m0/s1
InChIKey BABVEBNJYXWYQX-KQDNUWKFSA-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 381.428 g/mol
Solvent CDCl3
Source File Reference UWMZ46491