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Ethyl (3R*,4R*,5R*)-5-(2-Bromophenyl)-3-(4-methoxyphenyl)-2-methylisoxazolidine-4-carboxylate
SpectraBase Compound ID MKzrTjwP5B
InChI InChI=1S/C20H22BrNO4/c1-4-25-20(23)17-18(13-9-11-14(24-3)12-10-13)22(2)26-19(17)15-7-5-6-8-16(15)21/h5-12,17-19H,4H2,1-3H3/t17-,18+,19+/m1/s1
InChIKey NGCAWMCLSBQSBI-QYZOEREBSA-N
Mol Weight 420.3 g/mol
Molecular Formula C20H22BrNO4
Exact Mass 419.073221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8UiN2lqmSf
Name ETHYL-(3R*,4R*,5R*)-5-(2-BROMOPHENYL)-3-(4-METHOXYPHENYL)-2-METHYL-ISOXAZOLIDINE-4-CARBOXYLATE
Compound Number 3 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22BrNO4
InChI InChI=1S/C20H22BrNO4/c1-4-25-20(23)17-18(13-9-11-14(24-3)12-10-13)22(2)26-19(17)15-7-5-6-8-16(15)21/h5-12,17-19H,4H2,1-3H3/t17-,18+,19+/m1/s1
InChIKey NGCAWMCLSBQSBI-QYZOEREBSA-N
Literature Reference Author F.M.CORDERO,B.B.KHAIRNAR,A.BRANDI
Literature Reference Citation EUR.J.ORG.CHEM.,2014,7122(2014)
Literature Reference DOI 10.1002/ejoc.201403025
Molecular Weight 420.303 g/mol
Solvent CDCl3
Source File Reference UWIR19535