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Heyneanine
SpectraBase Compound ID LjFB1PvDAzu
InChI InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3/t12-,13+,16+,19-,21+/m0/s1
InChIKey VGDQBNXQAOYMPS-WMGNYKOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgJeJiuNClO
Name HEYNEANINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3/t12-,13+,16+,19-,21+/m0/s1
InChIKey VGDQBNXQAOYMPS-WMGNYKOYSA-N
Literature Reference Author P.S.PEREIRA,S.D.C.FRANCA,P.V.A.D.OLIVEIRA,C.M.D.S.BREVES,S.I .V.PEREIRA
Literature Reference Citation QUIM.NOVA,31,20(2008)
Literature Reference DOI 10.1590/s0100-40422008000100004
Molecular Weight 354.449 g/mol
Solvent CDCl3
Source File Reference UWBT12089