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4,4'-(1-PROPIN-3-YLOXY)-5,5'-(ALPHA'',OMEGA''-DIAMINOAZELOYL)-BISACRIDIN-9-(10H)-ONE

View entire compound with spectra: 1 NMR

4,4'-(1-PROPIN-3-YLOXY)-5,5'-(ALPHA'',OMEGA''-DIAMINOAZELOYL)-BISACRIDIN-9-(10H)-ONE
SpectraBase Compound ID 9NyGPiFpX98
InChI InChI=1S/C41H36N4O6/c1-3-24-50-32-20-12-16-28-38(32)44-36-26(40(28)48)14-10-18-30(36)42-34(46)22-8-6-5-7-9-23-35(47)43-31-19-11-15-27-37(31)45-39-29(41(27)49)17-13-21-33(39)51-25-4-2/h1-2,10-21H,5-9,22-25H2,(H,42,46)(H,43,47)(H,44,48)(H,45,49)
InChIKey CZCFCENGCDDOAX-UHFFFAOYSA-N
Mol Weight 680.8 g/mol
Molecular Formula C41H36N4O6
Exact Mass 680.263485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeLqxUk4K3r
Name 4,4'-(1-PROPIN-3-YLOXY)-5,5'-(ALPHA'',OMEGA''-DIAMINOAZELOYL)-BISACRIDIN-9-(10H)-ONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H36N4O6
InChI InChI=1S/C41H36N4O6/c1-3-24-50-32-20-12-16-28-38(32)44-36-26(40(28)48)14-10-18-30(36)42-34(46)22-8-6-5-7-9-23-35(47)43-31-19-11-15-27-37(31)45-39-29(41(27)49)17-13-21-33(39)51-25-4-2/h1-2,10-21H,5-9,22-25H2,(H,42,46)(H,43,47)(H,44,48)(H,45,49)
InChIKey CZCFCENGCDDOAX-UHFFFAOYSA-N
Literature Reference Author S.ISSMAILI,V.PIQUE,J.P.GALY,R.FAURE
Literature Reference Citation MAGN.RES.CHEM.,37,591(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199908)37:8<591::aid-mrc495>3.0.co;2-o
Molecular Weight 680.760 g/mol
Solvent DMSO-D6
Source File Reference UWRU4059