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(E)-3-[(S)-1-METHOXYCARBONYL-2-(TRITYL-CARBAMOYL)-ETHYLCARBOMOYL]-ACRYLIC_ACID_ETHYLESTER
SpectraBase Compound ID 4suXx1fBsTG
InChI InChI=1S/C30H30N2O6/c1-3-38-28(35)20-19-26(33)31-25(29(36)37-2)21-27(34)32-30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20,25H,3,21H2,1-2H3,(H,31,33)(H,32,34)/b20-19+/t25-/m0/s1
InChIKey RPFUPETZINOCAW-LEMPSFLLSA-N
Mol Weight 514.58 g/mol
Molecular Formula C30H30N2O6
Exact Mass 514.210387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Qzd5v9MUda
Name (E)-3-[(S)-1-METHOXYCARBONYL-2-(TRITYL-CARBAMOYL)-ETHYLCARBOMOYL]-ACRYLIC_ACID_ETHYLESTER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H30N2O6
InChI InChI=1S/C30H30N2O6/c1-3-38-28(35)20-19-26(33)31-25(29(36)37-2)21-27(34)32-30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20,25H,3,21H2,1-2H3,(H,31,33)(H,32,34)/b20-19+/t25-/m0/s1
InChIKey RPFUPETZINOCAW-LEMPSFLLSA-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 514.578 g/mol
Solvent CDCl3
Source File Reference UWMZ46490