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[R,(E)]-5-[(S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-N,N-DIETHYL-5-[(2-IODOPHENYL)-(METHYL)-AMINO]-PENT-2-ENAMIDE
SpectraBase Compound ID LFPvQY0vxLC
InChI InChI=1S/C21H31IN2O3/c1-6-24(7-2)20(25)14-10-13-18(19-15-26-21(3,4)27-19)23(5)17-12-9-8-11-16(17)22/h8-12,14,18-19H,6-7,13,15H2,1-5H3/b14-10+/t18-,19-/m1/s1
InChIKey QPKCOWPCIGDCKA-DKWYEQIVSA-N
Mol Weight 486.39 g/mol
Molecular Formula C21H31IN2O3
Exact Mass 486.137938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIkMYifg876
Name [R,(E)]-5-[(S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-N,N-DIETHYL-5-[(2-IODOPHENYL)-(METHYL)-AMINO]-PENT-2-ENAMIDE
Compound Number 7I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31IN2O3
InChI InChI=1S/C21H31IN2O3/c1-6-24(7-2)20(25)14-10-13-18(19-15-26-21(3,4)27-19)23(5)17-12-9-8-11-16(17)22/h8-12,14,18-19H,6-7,13,15H2,1-5H3/b14-10+/t18-,19-/m1/s1
InChIKey QPKCOWPCIGDCKA-DKWYEQIVSA-N
Literature Reference Author U.MARTINEZ-ESTIBALEZ,O.GARCIA-CALVO,V.ORTIZ-DE-ELGUEA,N.SOTO MAYOR,E.LETE
Literature Reference Citation EUR.J.ORG.CHEM.,2013,3013(2013)
Literature Reference DOI 10.1002/ejoc.201300048
Molecular Weight 486.393 g/mol
Solvent CDCl3
Source File Reference UWBT18005