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METHYL-(3S,ALPHA-R)-(E)-3-[N-BENZYL-N-(ALPHA-METHYLBENZYL)-AMINO]-HEX-4-ENOATE
SpectraBase Compound ID 7CrIIIBcWs3
InChI InChI=1S/C22H27NO2/c1-4-11-21(16-22(24)25-3)23(17-19-12-7-5-8-13-19)18(2)20-14-9-6-10-15-20/h4-15,18,21H,16-17H2,1-3H3/b11-4+/t18-,21-/m1/s1
InChIKey IYHVNZMVBYSADJ-LSEQFSAGSA-N
Mol Weight 337.46 g/mol
Molecular Formula C22H27NO2
Exact Mass 337.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sBI615yPyO
Name METHYL-(3S,ALPHA-R)-(E)-3-[N-BENZYL-N-(ALPHA-METHYLBENZYL)-AMINO]-HEX-4-ENOATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO2
InChI InChI=1S/C22H27NO2/c1-4-11-21(16-22(24)25-3)23(17-19-12-7-5-8-13-19)18(2)20-14-9-6-10-15-20/h4-15,18,21H,16-17H2,1-3H3/b11-4+/t18-,21-/m1/s1
InChIKey IYHVNZMVBYSADJ-LSEQFSAGSA-N
Literature Reference Author S.G.DAVIES,G.D.SMYTH,A.M.CHIPPINDALE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3089(1999)
Literature Reference DOI 10.1039/a907017f
Molecular Weight 337.462 g/mol
Solvent CDCl3
Source File Reference UWRU7596