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2-[[2,4,4,6,6-pentakis(pyrrolo[2,3-b]pyridin-1-yl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]-2-phenyl-acetic acid ethyl ester
SpectraBase Compound ID 9inVMeqlKl4
InChI InChI=1S/C45H37N14O2P3/c1-2-61-45(60)39(33-11-4-3-5-12-33)51-62(55-28-18-34-13-6-23-46-40(34)55)52-63(56-29-19-35-14-7-24-47-41(35)56,57-30-20-36-15-8-25-48-42(36)57)54-64(53-62,58-31-21-37-16-9-26-49-43(37)58)59-32-22-38-17-10-27-50-44(38)59/h3-32,39,51H,2H2,1H3
InChIKey JPFWINURVJBPDG-UHFFFAOYSA-N
Mol Weight 898.8 g/mol
Molecular Formula C45H37N14O2P3
Exact Mass 898.243677 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6lL6Uay0Lu
Name 2-[[2,4,4,6,6-pentakis(pyrrolo[2,3-b]pyridin-1-yl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]-2-phenyl-acetic acid ethyl ester
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H37N14O2P3
InChI InChI=1S/C45H37N14O2P3/c1-2-61-45(60)39(33-11-4-3-5-12-33)51-62(55-28-18-34-13-6-23-46-40(34)55)52-63(56-29-19-35-14-7-24-47-41(35)56,57-30-20-36-15-8-25-48-42(36)57)54-64(53-62,58-31-21-37-16-9-26-49-43(37)58)59-32-22-38-17-10-27-50-44(38)59/h3-32,39,51H,2H2,1H3
InChIKey JPFWINURVJBPDG-UHFFFAOYSA-N
Literature Reference Author V.VICENTE,A.FRUCHIER,H.J.CRISTAU
Literature Reference Citation MAGN.RES.CHEM.,41,183(2003)
Literature Reference DOI 10.1002/mrc.1155
Solvent CDCl3
Source File Reference UWMZ20053