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5-Nitro-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
SpectraBase Compound ID 6xiFuPna9Ql
InChI InChI=1S/C28H31N7O6/c1-3-5-13-25(36)31-21-9-7-11-23(29-21)33-27(38)18-15-19(17-20(16-18)35(40)41)28(39)34-24-12-8-10-22(30-24)32-26(37)14-6-4-2/h7-12,15-17H,3-6,13-14H2,1-2H3,(H2,29,31,33,36,38)(H2,30,32,34,37,39)
InChIKey QAESASXHBRYZNS-UHFFFAOYSA-N
Mol Weight 561.6 g/mol
Molecular Formula C28H31N7O6
Exact Mass 561.233582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfQEY4Mgrz8
Name 5-NITRO-N,N'-BIS-[6-(PENTANOYLAMINO)-PYRID-2-YL]-ISOPHTHALAMIDE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H31N7O6
InChI InChI=1S/C28H31N7O6/c1-3-5-13-25(36)31-21-9-7-11-23(29-21)33-27(38)18-15-19(17-20(16-18)35(40)41)28(39)34-24-12-8-10-22(30-24)32-26(37)14-6-4-2/h7-12,15-17H,3-6,13-14H2,1-2H3,(H2,29,31,33,36,38)(H2,30,32,34,37,39)
InChIKey QAESASXHBRYZNS-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 561.597 g/mol
Solvent DMSO-D6
Source File Reference UWBT21303