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ISOMER-#1

View entire compound with spectra: 2 NMR

ISOMER-#1
SpectraBase Compound ID 6P6IuvrhonQ
InChI InChI=1S/C28H26N6O6/c1-39-21-7-3-19(4-8-21)17-33-25(35)11-13-31(27(33)37)24(16-30)23-15-26(36)34(28(38)32(23)14-12-29)18-20-5-9-22(40-2)10-6-20/h3-11,13,23-24H,14-15,17-18H2,1-2H3
InChIKey AGMRVSXWIPYRTR-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 J8V2T3bnW2E
Name ISOMER-#2
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26N6O6
InChI InChI=1S/C28H26N6O6/c1-39-21-7-3-19(4-8-21)17-33-25(35)11-13-31(27(33)37)24(16-30)23-15-26(36)34(28(38)32(23)14-12-29)18-20-5-9-22(40-2)10-6-20/h3-11,13,23-24H,14-15,17-18H2,1-2H3
InChIKey AGMRVSXWIPYRTR-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 UWCS19394