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2-[(2R,5S,6R)-5-(benzyloxy)-6-(benzyloxymethyl)-5,6-dihydro-2H-pyran-2-yl]-2-nitro-malonic acid diethyl ester
SpectraBase Compound ID JukkWxFDhBy
InChI InChI=1S/C27H31NO9/c1-3-34-25(29)27(28(31)32,26(30)35-4-2)24-16-15-22(36-18-21-13-9-6-10-14-21)23(37-24)19-33-17-20-11-7-5-8-12-20/h5-16,22-24H,3-4,17-19H2,1-2H3/t22-,23+,24+/m0/s1
InChIKey NJMZWKSWXHLBNY-RBZQAINGSA-N
Mol Weight 513.54 g/mol
Molecular Formula C27H31NO9
Exact Mass 513.199882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Tc99cbo8ox
Name 2-[(2R,5S,6R)-5-(benzyloxy)-6-(benzyloxymethyl)-5,6-dihydro-2H-pyran-2-yl]-2-nitro-malonic acid diethyl ester
Compound Number 8-BETA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31NO9
InChI InChI=1S/C27H31NO9/c1-3-34-25(29)27(28(31)32,26(30)35-4-2)24-16-15-22(36-18-21-13-9-6-10-14-21)23(37-24)19-33-17-20-11-7-5-8-12-20/h5-16,22-24H,3-4,17-19H2,1-2H3/t22-,23+,24+/m0/s1
InChIKey NJMZWKSWXHLBNY-RBZQAINGSA-N
Literature Reference Author M.BRAKTA,R.N.FARR,B.CHAGUIR,G.MASSIOT,C.LAVAUD,W.R.ANDERSON, D.SINOU,G.D.DAVES
Literature Reference Citation J.ORG.CHEM.,58,2992(1993)
Literature Reference DOI 10.1021/jo00063a015
Molecular Weight 513.544 g/mol
Solvent CDCl3
Source File Reference UWRU798