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N,N'-Bis[6-(2-ethylhexanoylamino)pyrid-2-yl]-5-nitroisophthalamide

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N,N'-Bis[6-(2-ethylhexanoylamino)pyrid-2-yl]-5-nitroisophthalamide
SpectraBase Compound ID 3u71XiIaJzk
InChI InChI=1S/C34H43N7O6/c1-5-9-13-22(7-3)31(42)37-27-15-11-17-29(35-27)39-33(44)24-19-25(21-26(20-24)41(46)47)34(45)40-30-18-12-16-28(36-30)38-32(43)23(8-4)14-10-6-2/h11-12,15-23H,5-10,13-14H2,1-4H3,(H2,35,37,39,42,44)(H2,36,38,40,43,45)
InChIKey BQEPKPQDQYDOFP-UHFFFAOYSA-N
Mol Weight 645.8 g/mol
Molecular Formula C34H43N7O6
Exact Mass 645.327482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLEQmUT7jhr
Name N,N'-BIS-[6-(2-ETHYLHEXANOYLAMINO)-PYRID-2-YL]-5-NITRO-ISOPHTHALAMIDE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H43N7O6
InChI InChI=1S/C34H43N7O6/c1-5-9-13-22(7-3)31(42)37-27-15-11-17-29(35-27)39-33(44)24-19-25(21-26(20-24)41(46)47)34(45)40-30-18-12-16-28(36-30)38-32(43)23(8-4)14-10-6-2/h11-12,15-23H,5-10,13-14H2,1-4H3,(H2,35,37,39,42,44)(H2,36,38,40,43,45)
InChIKey BQEPKPQDQYDOFP-UHFFFAOYSA-N
Literature Reference Author C.DETHLEFS,J.ECKELMANN,H.KOBARG,T.WEYRICH,S.BRAMMER,C.NAETHE R,U.LUENING
Literature Reference Citation EUR.J.ORG.CHEM.,2011,2066(2011)
Literature Reference DOI 10.1002/ejoc.201001684
Molecular Weight 645.759 g/mol
Solvent CDCl3
Source File Reference UWBT21308