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JOMTHONIC_ACID_A_1-PYRENEMETHYLAMIDE

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JOMTHONIC_ACID_A_1-PYRENEMETHYLAMIDE
SpectraBase Compound ID 8pnRZ6qSGsB
InChI InChI=1S/C39H40N2O4/c1-6-24(2)15-22-34(42)41-37(26(4)28-11-8-7-9-12-28)39(44)45-27(5)25(3)38(43)40-23-32-19-18-31-17-16-29-13-10-14-30-20-21-33(32)36(31)35(29)30/h6-22,25-27,37H,23H2,1-5H3,(H,40,43)(H,41,42)/b22-15+,24-6+/t25-,26-,27-,37-/m0/s1
InChIKey ASCKPXBSRZBSOG-YXYCSBNLSA-N
Mol Weight 600.8 g/mol
Molecular Formula C39H40N2O4
Exact Mass 600.298808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgA5LN6QHgm
Name JOMTHONIC_ACID_A_1-PYRENEMETHYLAMIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H40N2O4
InChI InChI=1S/C39H40N2O4/c1-6-24(2)15-22-34(42)41-37(26(4)28-11-8-7-9-12-28)39(44)45-27(5)25(3)38(43)40-23-32-19-18-31-17-16-29-13-10-14-30-20-21-33(32)36(31)35(29)30/h6-22,25-27,37H,23H2,1-5H3,(H,40,43)(H,41,42)/b22-15+,24-6+/t25-,26-,27-,37-/m0/s1
InChIKey ASCKPXBSRZBSOG-YXYCSBNLSA-N
Literature Reference Author Y.IGARASHI,L.YU,M.IKEDA,T.OIKAWA,S.KITANI,T.NIHARA,B.BAYANMU NKH,W.PANBANGRED
Literature Reference Citation J.NAT.PROD.,75,986(2012)
Literature Reference DOI 10.1021/np200742c
Molecular Weight 600.758 g/mol
Sample ID 40471
Solvent CDCl3