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N-TRIFLUOROACETYL-GLYCYL-[N-BENZYL-N-[4-ETHOXYCARBONYLOXY-(2E)-BUTEN-1-YL]]-AMIDE;MAJOR-ROTAMER
SpectraBase Compound ID 7zbjgHPsHRi
InChI InChI=1S/C18H21F3N2O5/c1-2-27-17(26)28-11-7-6-10-23(13-14-8-4-3-5-9-14)15(24)12-22-16(25)18(19,20)21/h3-9H,2,10-13H2,1H3,(H,22,25)/b7-6+
InChIKey XPVYSXSJKFRAFL-VOTSOKGWSA-N
Mol Weight 402.37 g/mol
Molecular Formula C18H21F3N2O5
Exact Mass 402.140256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Izh5IVINb5i
Name N-TRIFLUOROACETYL-GLYCYL-[N-BENZYL-N-[4-ETHOXYCARBONYLOXY-(2E)-BUTEN-1-YL]]-AMIDE;MINOR-ROTAMER
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21F3N2O5
InChI InChI=1S/C18H21F3N2O5/c1-2-27-17(26)28-11-7-6-10-23(13-14-8-4-3-5-9-14)15(24)12-22-16(25)18(19,20)21/h3-9H,2,10-13H2,1H3,(H,22,25)/b7-6+
InChIKey XPVYSXSJKFRAFL-VOTSOKGWSA-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 402.370 g/mol
Solvent CDCl3
Source File Reference UWIR18606