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(P)-(R,R)-3,3'-DIMETHYL-6,6'-BIS-(1-BUTYLOXY-2-METHYL-2-PHENYLPROPYL)-2,2'-BIPYRIDINE-BIS-N-OXIDE
SpectraBase Compound ID CfxQHkOxzYf
InChI InChI=1S/C40H52N2O4/c1-9-11-27-45-37(39(5,6)31-19-15-13-16-20-31)33-25-23-29(3)35(41(33)43)36-30(4)24-26-34(42(36)44)38(46-28-12-10-2)40(7,8)32-21-17-14-18-22-32/h13-26,37-38H,9-12,27-28H2,1-8H3/t37-,38+
InChIKey SEGGOHSTALABOZ-MAZIBIHTSA-N
Mol Weight 624.9 g/mol
Molecular Formula C40H52N2O4
Exact Mass 624.392708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Z46GF2MdUK
Name (P)-(R,R)-3,3'-DIMETHYL-6,6'-BIS-(1-BUTYLOXY-2-METHYL-2-PHENYLPROPYL)-2,2'-BIPYRIDINE-BIS-N-OXIDE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52N2O4
InChI InChI=1S/C40H52N2O4/c1-9-11-27-45-37(39(5,6)31-19-15-13-16-20-31)33-25-23-29(3)35(41(33)43)36-30(4)24-26-34(42(36)44)38(46-28-12-10-2)40(7,8)32-21-17-14-18-22-32/h13-26,37-38H,9-12,27-28H2,1-8H3/t37-,38+
InChIKey SEGGOHSTALABOZ-MAZIBIHTSA-N
Literature Reference Author S.E.DENMARK,Y.FAN
Literature Reference Citation J.AM.CHEM.SOC.,124,4233(2002)
Literature Reference DOI 10.1021/ja025670e
Molecular Weight 624.864 g/mol
Sample ID 49862
Solvent CDCl3