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LESS-POLAR-ISOMER

View entire compound with spectra: 2 NMR

LESS-POLAR-ISOMER
SpectraBase Compound ID DbovpvJ7FRC
InChI InChI=1S/C20H20BrNO5/c1-13(22-19(24)17(21)16(23)12-26-22)20(25)27-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-18,23H,12H2,1H3/t13-,16?,17?/m1/s1
InChIKey VFHZSNZOKGOAGR-NVPAJSRCSA-N
Mol Weight 434.29 g/mol
Molecular Formula C20H20BrNO5
Exact Mass 433.052486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEXBkdmg3ED
Name MORE-POLAR-ISOMER
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20BrNO5
InChI InChI=1S/C20H20BrNO5/c1-13(22-19(24)17(21)16(23)12-26-22)20(25)27-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-18,23H,12H2,1H3/t13-,16?,17?/m1/s1
InChIKey VFHZSNZOKGOAGR-NVPAJSRCSA-N
Literature Reference Author G.V.SHUSTOV,M.K.CHANDLER,S.WOLFE
Literature Reference Citation CAN.J.CHEM.,83,93(2005)
Literature Reference DOI 10.1139/v04-174
Molecular Weight 434.287 g/mol
Solvent CDCl3
Source File Reference UWVN27463