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ISOMER-#1
SpectraBase Compound ID 36Ir9ZQI7Ne
InChI InChI=1S/C28H26N6O6/c1-39-19-7-3-17(4-8-19)15-32-23(35)13-21-24-25(22(14-30)34(21)28(32)38)31(12-11-29)27(37)33(26(24)36)16-18-5-9-20(40-2)10-6-18/h3-10,21-22,24-25H,12-13,15-16H2,1-2H3
InChIKey OUJZYGOQISTEIO-UHFFFAOYSA-N
Mol Weight 542.55 g/mol
Molecular Formula C28H26N6O6
Exact Mass 542.191383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3OS9jL9DFNt
Name ISOMER-#1
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26N6O6
InChI InChI=1S/C28H26N6O6/c1-39-19-7-3-17(4-8-19)15-32-23(35)13-21-24-25(22(14-30)34(21)28(32)38)31(12-11-29)27(37)33(26(24)36)16-18-5-9-20(40-2)10-6-18/h3-10,21-22,24-25H,12-13,15-16H2,1-2H3
InChIKey OUJZYGOQISTEIO-UHFFFAOYSA-N
Literature Reference Author G.GRANGIER,D.J.AITKEN,D.GUILLAUME,A.TOMAS,B.VIOSSAT,H.P.HUSS ON
Literature Reference Citation J.HETCYCL.CHEM.,31,1707(1994)
Literature Reference DOI 10.1002/jhet.5570310673
Molecular Weight 542.551 g/mol
Solvent CDCl3
Source File Reference UWCS19396