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OSLHBNYKUOBXML-UHFFFAOYSA-N

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OSLHBNYKUOBXML-UHFFFAOYSA-N
SpectraBase Compound ID 6cCAiIHdEbZ
InChI InChI=1S/C47H38N6/c1-5-13-34(14-6-1)46(35-15-7-2-8-16-35)52-31-42(27-48-52)38-21-23-44-40(25-38)29-50-33-51(44)30-41-26-39(22-24-45(41)50)43-28-49-53(32-43)47(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-28,31-32,46-47H,29-30,33H2
InChIKey OSLHBNYKUOBXML-UHFFFAOYSA-N
Mol Weight 686.9 g/mol
Molecular Formula C47H38N6
Exact Mass 686.315795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HO2k9MDXWKj
Name OSLHBNYKUOBXML-UHFFFAOYSA-N
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H38N6
InChI InChI=1S/C47H38N6/c1-5-13-34(14-6-1)46(35-15-7-2-8-16-35)52-31-42(27-48-52)38-21-23-44-40(25-38)29-50-33-51(44)30-41-26-39(22-24-45(41)50)43-28-49-53(32-43)47(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-28,31-32,46-47H,29-30,33H2
InChIKey OSLHBNYKUOBXML-UHFFFAOYSA-N
Literature Reference Author J.CUDERO,P.JIMENEZ,C.MARCOS,C.PARDO,M.RAMOS,J.ELGUERO,A.FRUC HIER
Literature Reference Citation MAGN.RES.CHEM.,34,318(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199604)34:4<318::aid-omr861>3.0.co;2-9
Molecular Weight 686.859 g/mol
Solvent CDCl3
Source File Reference UWRK3749