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#6;(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)-METHYL-4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1-[2'-(2-TRIPHENYLMETHYL-2H-TETRAZOL-5-YL)-BIPHENYL-4-YL]-METHYL-1H-IM

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#6;(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)-METHYL-4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1-[2'-(2-TRIPHENYLMETHYL-2H-TETRAZOL-5-YL)-BIPHENYL-4-YL]-METHYL-1H-IM
SpectraBase Compound ID CRKGbaGNjwF
InChI InChI=1S/C48H44N6O6/c1-5-17-41-49-43(47(3,4)57)42(45(55)58-31-40-32(2)59-46(56)60-40)53(41)30-33-26-28-34(29-27-33)38-24-15-16-25-39(38)44-50-52-54(51-44)48(35-18-9-6-10-19-35,36-20-11-7-12-21-36)37-22-13-8-14-23-37/h6-16,18-29,57H,5,17,30-31H2,1-4H3
InChIKey KKYFOXOGKNDKRS-UHFFFAOYSA-N
Mol Weight 800.9 g/mol
Molecular Formula C48H44N6O6
Exact Mass 800.332233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUeW3KB97MJ
Name #6;(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)-METHYL-4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1-[2'-(2-TRIPHENYLMETHYL-2H-TETRAZOL-5-YL)-BIPHENYL-4-YL]-METHYL-1H-IM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H44N6O6
InChI InChI=1S/C48H44N6O6/c1-5-17-41-49-43(47(3,4)57)42(45(55)58-31-40-32(2)59-46(56)60-40)53(41)30-33-26-28-34(29-27-33)38-24-15-16-25-39(38)44-50-52-54(51-44)48(35-18-9-6-10-19-35,36-20-11-7-12-21-36)37-22-13-8-14-23-37/h6-16,18-29,57H,5,17,30-31H2,1-4H3
InChIKey KKYFOXOGKNDKRS-UHFFFAOYSA-N
Literature Reference Author I.DAMS,A.OSTASZEWSKA,M.PUCHALSKA,J.CHMIEL,P.CMOCH,I.BUJAK,A. BIALONSKA,W.J.SZCZEP
Literature Reference Citation MOLECULES,20,21346(2015)
Literature Reference DOI 10.3390/molecules201219762
Molecular Weight 800.914 g/mol
Solvent CDCl3
Source File Reference UWPA7022