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(2S,8R,9S)-9-BENZOYLOXY-2-BROMORUBAN-3-ONE

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(2S,8R,9S)-9-BENZOYLOXY-2-BROMORUBAN-3-ONE
SpectraBase Compound ID 9fdwdq38wxv
InChI InChI=1S/C25H23BrN2O4/c1-31-17-7-8-20-19(14-17)18(9-11-27-20)23(32-25(30)15-5-3-2-4-6-15)21-13-16-10-12-28(21)24(26)22(16)29/h2-9,11,14,16,21,23-24H,10,12-13H2,1H3/t16-,21+,23-,24-/m0/s1
InChIKey DRPUIMRWLDXRSP-QFZOFJBGSA-N
Mol Weight 495.37 g/mol
Molecular Formula C25H23BrN2O4
Exact Mass 494.08412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ziWiA3OhNV
Name (2S,8R,9S)-9-BENZOYLOXY-2-BROMORUBAN-3-ONE
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23BrN2O4
InChI InChI=1S/C25H23BrN2O4/c1-31-17-7-8-20-19(14-17)18(9-11-27-20)23(32-25(30)15-5-3-2-4-6-15)21-13-16-10-12-28(21)24(26)22(16)29/h2-9,11,14,16,21,23-24H,10,12-13H2,1H3/t16-,21+,23-,24-/m0/s1
InChIKey DRPUIMRWLDXRSP-QFZOFJBGSA-N
Literature Reference Author P.LANGER,J.FRACKENPOHL,H.M.R.HOFFMANN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,801(1998)
Literature Reference DOI 10.1039/a705561g
Molecular Weight 495.373 g/mol
Solvent CDCl3
Source File Reference UWGE3112