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(4S,5R,1'S,ALPHA-R)-4-CARBOXYMETHYL-5-(1'-IODOETHYL)-3-(ALPHA-METHYLBENZYL)-OXAZOLIDIN-2-ONE
SpectraBase Compound ID 3d6uZTbhAnP
InChI InChI=1S/C15H18INO4/c1-9(16)14-12(8-13(18)19)17(15(20)21-14)10(2)11-6-4-3-5-7-11/h3-7,9-10,12,14H,8H2,1-2H3,(H,18,19)/t9-,10?,12-,14?/m0/s1
InChIKey CAEMYRNNAIABSK-XQXUWNMESA-N
Mol Weight 403.22 g/mol
Molecular Formula C15H18INO4
Exact Mass 403.028053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27EBsZQZlS6
Name (4S,5R,1'S,ALPHA-R)-4-CARBOXYMETHYL-5-(1'-IODOETHYL)-3-(ALPHA-METHYLBENZYL)-OXAZOLIDIN-2-ONE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18INO4
InChI InChI=1S/C15H18INO4/c1-9(16)14-12(8-13(18)19)17(15(20)21-14)10(2)11-6-4-3-5-7-11/h3-7,9-10,12,14H,8H2,1-2H3,(H,18,19)/t9-,10?,12-,14?/m0/s1
InChIKey CAEMYRNNAIABSK-XQXUWNMESA-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 403.217 g/mol
Solvent CDCl3
Source File Reference UWRU7608