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(2R,8R,9S)-2,9-EPOXY-2-PROPIONYLRUBAN-3-ONE

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(2R,8R,9S)-2,9-EPOXY-2-PROPIONYLRUBAN-3-ONE
SpectraBase Compound ID 86ELqMiie56
InChI InChI=1S/C21H22N2O4/c1-3-18(24)21-20(25)12-7-9-23(21)17(10-12)19(27-21)14-6-8-22-16-5-4-13(26-2)11-15(14)16/h4-6,8,11-12,17,19H,3,7,9-10H2,1-2H3/t12-,17-,19-,21+/m1/s1
InChIKey DFIVQRGZMYSTET-CKIIPLENSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9LSH9c3uju
Name (2R,8R,9S)-2,9-EPOXY-2-PROPIONYLRUBAN-3-ONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-3-18(24)21-20(25)12-7-9-23(21)17(10-12)19(27-21)14-6-8-22-16-5-4-13(26-2)11-15(14)16/h4-6,8,11-12,17,19H,3,7,9-10H2,1-2H3/t12-,17-,19-,21+/m1/s1
InChIKey DFIVQRGZMYSTET-CKIIPLENSA-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 366.417 g/mol
Solvent CDCl3
Source File Reference UWGE3115