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

View entire compound with spectra: 1 NMR

4,4'-(1-PROPIN-3-YLOXY)-5,5'-(ALPHA'',OMEGA''-DIAMINOADIPOYL)-BISACRIDIN-9-(10H)-ONE
SpectraBase Compound ID E2SYrHUBnK2
InChI InChI=1S/C38H30N4O6/c1-3-21-47-29-17-9-13-25-35(29)41-33-23(37(25)45)11-7-15-27(33)39-31(43)19-5-6-20-32(44)40-28-16-8-12-24-34(28)42-36-26(38(24)46)14-10-18-30(36)48-22-4-2/h1-2,7-18H,5-6,19-22H2,(H,39,43)(H,40,44)(H,41,45)(H,42,46)
InChIKey LFRDWNZHVROUSS-UHFFFAOYSA-N
Mol Weight 638.7 g/mol
Molecular Formula C38H30N4O6
Exact Mass 638.216535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4myfjReFq6V
Name 4,4'-(1-PROPIN-3-YLOXY)-5,5'-(ALPHA'',OMEGA''-DIAMINOADIPOYL)-BISACRIDIN-9-(10H)-ONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H30N4O6
InChI InChI=1S/C38H30N4O6/c1-3-21-47-29-17-9-13-25-35(29)41-33-23(37(25)45)11-7-15-27(33)39-31(43)19-5-6-20-32(44)40-28-16-8-12-24-34(28)42-36-26(38(24)46)14-10-18-30(36)48-22-4-2/h1-2,7-18H,5-6,19-22H2,(H,39,43)(H,40,44)(H,41,45)(H,42,46)
InChIKey LFRDWNZHVROUSS-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 638.679 g/mol
Solvent DMSO-D6
Source File Reference UWRU4058