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1,1'-DIHYDROXY-2,2'-[[(3AR,7AS)-2,3,3A,4,5,6,7,7A-OCTAHYDRO-1H-1,3-BENZIMIDAZOLE-1,3-DIYL]-BIS-(METHYLENE)]-4,4'-DIBENZOIC-ACID-BUTYLESTER

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1,1'-DIHYDROXY-2,2'-[[(3AR,7AS)-2,3,3A,4,5,6,7,7A-OCTAHYDRO-1H-1,3-BENZIMIDAZOLE-1,3-DIYL]-BIS-(METHYLENE)]-4,4'-DIBENZOIC-ACID-BUTYLESTER
SpectraBase Compound ID 9lYhHc7tqqE
InChI InChI=1S/C31H42N2O6/c1-3-5-15-38-30(36)22-11-13-28(34)24(17-22)19-32-21-33(27-10-8-7-9-26(27)32)20-25-18-23(12-14-29(25)35)31(37)39-16-6-4-2/h11-14,17-18,26-27,34-35H,3-10,15-16,19-21H2,1-2H3/t26-,27+
InChIKey IPOUWBVFRNWVPZ-MKPDMIMOSA-N
Mol Weight 538.7 g/mol
Molecular Formula C31H42N2O6
Exact Mass 538.304287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMVrQXLiATj
Name 1,1'-DIHYDROXY-2,2'-[[(3AR,7AS)-2,3,3A,4,5,6,7,7A-OCTAHYDRO-1H-1,3-BENZIMIDAZOLE-1,3-DIYL]-BIS-(METHYLENE)]-4,4'-DIBENZOIC-ACID-BUTYLESTER
Compound Number 8H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H42N2O6
InChI InChI=1S/C31H42N2O6/c1-3-5-15-38-30(36)22-11-13-28(34)24(17-22)19-32-21-33(27-10-8-7-9-26(27)32)20-25-18-23(12-14-29(25)35)31(37)39-16-6-4-2/h11-14,17-18,26-27,34-35H,3-10,15-16,19-21H2,1-2H3/t26-,27+
InChIKey IPOUWBVFRNWVPZ-MKPDMIMOSA-N
Literature Reference Author A.RIVERA,D.QUIROGA,J.RIOS-MOTTA,V.EIGNER,M.DUSEK
Literature Reference Citation CHEM.CENTR.J.,7,100,1(2013)
Literature Reference DOI 10.1186/1752-153x-7-100
Molecular Weight 538.684 g/mol
Solvent Unknown
Source File Reference UWIR11531