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TERT.-BUTYL-(3S,ALPHA-R)-(E)-3-[N-ALLYL-N-(ALPHA-METHYLBENZYL)-AMINO]-HEX-4-ENOATE
SpectraBase Compound ID IrjRdwroNSX
InChI InChI=1S/C21H31NO2/c1-7-12-19(16-20(23)24-21(4,5)6)22(15-8-2)17(3)18-13-10-9-11-14-18/h7-14,17,19H,2,15-16H2,1,3-6H3/b12-7+/t17-,19+/m1/s1
InChIKey YLVLWYOEAAYRHV-ZWSFKOMGSA-N
Mol Weight 329.48 g/mol
Molecular Formula C21H31NO2
Exact Mass 329.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68IvISzaFQl
Name TERT.-BUTYL-(3S,ALPHA-R)-(E)-3-[N-ALLYL-N-(ALPHA-METHYLBENZYL)-AMINO]-HEX-4-ENOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31NO2
InChI InChI=1S/C21H31NO2/c1-7-12-19(16-20(23)24-21(4,5)6)22(15-8-2)17(3)18-13-10-9-11-14-18/h7-14,17,19H,2,15-16H2,1,3-6H3/b12-7+/t17-,19+/m1/s1
InChIKey YLVLWYOEAAYRHV-ZWSFKOMGSA-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 329.483 g/mol
Solvent CDCl3
Source File Reference UWRU7601