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BENZYL-(2S)-2-BENZYLOXYCARBONYLAMINO-3-[2-ACETYL-1-(PARA-NITROPHENYL)-5-OXOPYRAZOL-4-YL]-PROPIONATE
SpectraBase Compound ID 1UghLEn4Oq8
InChI InChI=1S/C29H26N4O8/c1-20(34)31-17-23(27(35)32(31)24-12-14-25(15-13-24)33(38)39)16-26(28(36)40-18-21-8-4-2-5-9-21)30-29(37)41-19-22-10-6-3-7-11-22/h2-15,17,26H,16,18-19H2,1H3,(H,30,37)/t26-/m0/s1
InChIKey CZGVONMMBYRQTK-SANMLTNESA-N
Mol Weight 558.55 g/mol
Molecular Formula C29H26N4O8
Exact Mass 558.175064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dNtboBJbk5
Name BENZYL-(2S)-2-BENZYLOXYCARBONYLAMINO-3-[2-ACETYL-1-(PARA-NITROPHENYL)-5-OXOPYRAZOL-4-YL]-PROPIONATE
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26N4O8
InChI InChI=1S/C29H26N4O8/c1-20(34)31-17-23(27(35)32(31)24-12-14-25(15-13-24)33(38)39)16-26(28(36)40-18-21-8-4-2-5-9-21)30-29(37)41-19-22-10-6-3-7-11-22/h2-15,17,26H,16,18-19H2,1H3,(H,30,37)/t26-/m0/s1
InChIKey CZGVONMMBYRQTK-SANMLTNESA-N
Literature Reference Author A.N.BOWLER,A.DINSMORE,P.M.DOYLE,D.W.YOUNG
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1297(1997)
Literature Reference DOI 10.1039/a608067g
Molecular Weight 558.547 g/mol
Solvent DMSO-D6