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#13;ETHYL-3-(1-BENZYL-1H-TETRAZOL-5-YL)-6-[3-[5-[2-(1-BENZYL-1H-TETRAZOL-5-YL)-2-[2-(ETHOXYCARBONYL)-HYDRAZONO]-ETHYL]-1H-PYRROL-2-YL]-PENTAN-3-YL]-4,4A,7,7A-T
SpectraBase Compound ID 1xNzvIiFOv9
InChI InChI=1S/C39H46N14O4/c1-5-39(6-2,33-20-19-28(40-33)21-30(42-45-37(54)56-7-3)35-43-47-49-51(35)24-26-15-11-9-12-16-26)34-23-32-29(41-34)22-31(46-53(32)38(55)57-8-4)36-44-48-50-52(36)25-27-17-13-10-14-18-27/h9-20,29,32,40H,5-8,21-25H2,1-4H3,(H,45,54)/b42-30-
InChIKey AZOSOXFYJCYKGF-ZQXDMQSWSA-N
Mol Weight 774.9 g/mol
Molecular Formula C39H46N14O4
Exact Mass 774.382646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7t3gsZep8qK
Name #13;ETHYL-3-(1-BENZYL-1H-TETRAZOL-5-YL)-6-[3-[5-[2-(1-BENZYL-1H-TETRAZOL-5-YL)-2-[2-(ETHOXYCARBONYL)-HYDRAZONO]-ETHYL]-1H-PYRROL-2-YL]-PENTAN-3-YL]-4,4A,7,7A-T
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H46N14O4
InChI InChI=1S/C39H46N14O4/c1-5-39(6-2,33-20-19-28(40-33)21-30(42-45-37(54)56-7-3)35-43-47-49-51(35)24-26-15-11-9-12-16-26)34-23-32-29(41-34)22-31(46-53(32)38(55)57-8-4)36-44-48-50-52(36)25-27-17-13-10-14-18-27/h9-20,29,32,40H,5-8,21-25H2,1-4H3,(H,45,54)/b42-30-
InChIKey AZOSOXFYJCYKGF-ZQXDMQSWSA-N
Literature Reference Author S.M.M.LOPES,A.LEMOS,T.M.V.D.P.EMELO
Literature Reference Citation EUR.J.ORG.CHEM.,2014,7039(2014)
Literature Reference DOI 10.1002/ejoc.201402944
Molecular Weight 774.886 g/mol
Solvent CDCl3
Source File Reference UWLU85444