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N-TERT.-BUTYLOXYCARBONYL-BETA-ALANYL-[N-BENZYL-N-[4-ETHOXYCARBONYLOXY-(2E)-BUTEN-1-YL]]-AMIDE;MAJOR-ROTAMER
SpectraBase Compound ID A2JQJzw96sm
InChI InChI=1S/C22H32N2O6/c1-5-28-21(27)29-16-10-9-15-24(17-18-11-7-6-8-12-18)19(25)13-14-23-20(26)30-22(2,3)4/h6-12H,5,13-17H2,1-4H3,(H,23,26)/b10-9+
InChIKey IODAUCGWTSZQON-MDZDMXLPSA-N
Mol Weight 420.5 g/mol
Molecular Formula C22H32N2O6
Exact Mass 420.226037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOqopkm8cJv
Name N-TERT.-BUTYLOXYCARBONYL-BETA-ALANYL-[N-BENZYL-N-[4-ETHOXYCARBONYLOXY-(2E)-BUTEN-1-YL]]-AMIDE;MINOR-ROTAMER
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32N2O6
InChI InChI=1S/C22H32N2O6/c1-5-28-21(27)29-16-10-9-15-24(17-18-11-7-6-8-12-18)19(25)13-14-23-20(26)30-22(2,3)4/h6-12H,5,13-17H2,1-4H3,(H,23,26)/b10-9+
InChIKey IODAUCGWTSZQON-MDZDMXLPSA-N
Literature Reference Author S.THIES,U.KAZMAIER
Literature Reference Citation EUR.J.ORG.CHEM.,2014,1695(2014)
Literature Reference DOI 10.1002/ejoc.201301659
Molecular Weight 420.506 g/mol
Solvent CDCl3
Source File Reference UWIR18610