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METHYL-(7S*,8R*,8AR*)-3-BENZYL-8-(1'-TRITYL-1'H-IMIDAZOL-4'-YL)-7-NITRO-6-OXO-3,4,6,7,8-HEXAHYDROIMIDAZO-[4,5-F]-INDOLIZIN-8A-CARBOXYLATE
SpectraBase Compound ID IpjhdpftkBx
InChI InChI=1S/C40H34N6O5/c1-51-38(48)39-22-32-34(43(26-41-32)23-28-14-6-2-7-15-28)25-45(39)37(47)36(46(49)50)35(39)33-24-44(27-42-33)40(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21,24,26-27,35-36H,22-23,25H2,1H3/t35-,36-,39+/m0/s1
InChIKey KLQINIQQEHVXHI-VHYZKNOSSA-N
Mol Weight 678.7 g/mol
Molecular Formula C40H34N6O5
Exact Mass 678.259068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MbKUNPXuPt
Name METHYL-(7S*,8R*,8AR*)-3-BENZYL-8-(1'-TRITYL-1'H-IMIDAZOL-4'-YL)-7-NITRO-6-OXO-3,4,6,7,8-HEXAHYDROIMIDAZO-[4,5-F]-INDOLIZIN-8A-CARBOXYLATE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H34N6O5
InChI InChI=1S/C40H34N6O5/c1-51-38(48)39-22-32-34(43(26-41-32)23-28-14-6-2-7-15-28)25-45(39)37(47)36(46(49)50)35(39)33-24-44(27-42-33)40(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21,24,26-27,35-36H,22-23,25H2,1H3/t35-,36-,39+/m0/s1
InChIKey KLQINIQQEHVXHI-VHYZKNOSSA-N
Literature Reference Author M.F.BRANA,C.GUISADO,F.SANZ
Literature Reference Citation J.HETCYCL.CHEM.,40,917(2003)
Literature Reference DOI 10.1002/jhet.5570400528
Molecular Weight 678.747 g/mol
Solvent CDCl3
Source File Reference UWMS22873