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5-BENZOYLOXY-N,N'-BIS-[6-(2-ETHYLHEXANOYLLAMINO)-PYRID-2-YL]-ISOPHTHALAMIDE
SpectraBase Compound ID BCcQCh8xjpV
InChI InChI=1S/C41H48N6O6/c1-5-9-16-27(7-3)37(48)44-33-20-14-22-35(42-33)46-39(50)30-24-31(26-32(25-30)53-41(52)29-18-12-11-13-19-29)40(51)47-36-23-15-21-34(43-36)45-38(49)28(8-4)17-10-6-2/h11-15,18-28H,5-10,16-17H2,1-4H3,(H2,42,44,46,48,50)(H2,43,45,47,49,51)
InChIKey JUBCSJHRFQSCHG-UHFFFAOYSA-N
Mol Weight 720.9 g/mol
Molecular Formula C41H48N6O6
Exact Mass 720.363533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jQ9EX8kKEm
Name 5-BENZOYLOXY-N,N'-BIS-[6-(2-ETHYLHEXANOYLLAMINO)-PYRID-2-YL]-ISOPHTHALAMIDE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H48N6O6
InChI InChI=1S/C41H48N6O6/c1-5-9-16-27(7-3)37(48)44-33-20-14-22-35(42-33)46-39(50)30-24-31(26-32(25-30)53-41(52)29-18-12-11-13-19-29)40(51)47-36-23-15-21-34(43-36)45-38(49)28(8-4)17-10-6-2/h11-15,18-28H,5-10,16-17H2,1-4H3,(H2,42,44,46,48,50)(H2,43,45,47,49,51)
InChIKey JUBCSJHRFQSCHG-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 720.869 g/mol
Solvent CDCl3
Source File Reference UWBT21309