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ETHYL-4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1-[2'-(2-TRIPHENYLMETHYL-2H-TETRAZOL-5-YL)-BIPHENYL-4-YL]-METHYL-1H-IMIDAZOLE-5-CARBOXYLATE
SpectraBase Compound ID A65JO3haFed
InChI InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-49-51(48-42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3
InChIKey PKLGOYACZYXKDL-UHFFFAOYSA-N
Mol Weight 716.9 g/mol
Molecular Formula C45H44N6O3
Exact Mass 716.347489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UDvwv9sjpP
Name ETHYL-4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1-[2'-(2-TRIPHENYLMETHYL-2H-TETRAZOL-5-YL)-BIPHENYL-4-YL]-METHYL-1H-IMIDAZOLE-5-CARBOXYLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H44N6O3
InChI InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-49-51(48-42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3
InChIKey PKLGOYACZYXKDL-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 716.883 g/mol
Solvent DMSO-D6
Source File Reference UWPA7021