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1,3,5-Tris([(2,3-dimethoxy-4-methyl-benzoyl)-amino]-methyl)-benzene

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1,3,5-Tris([(2,3-dimethoxy-4-methyl-benzoyl)-amino]-methyl)-benzene
SpectraBase Compound ID 9HpMROJplQH
InChI InChI=1S/C39H45N3O9/c1-22-10-13-28(34(49-7)31(22)46-4)37(43)40-19-25-16-26(20-41-38(44)29-14-11-23(2)32(47-5)35(29)50-8)18-27(17-25)21-42-39(45)30-15-12-24(3)33(48-6)36(30)51-9/h10-18H,19-21H2,1-9H3,(H,40,43)(H,41,44)(H,42,45)
InChIKey MNBFJHFDBRHHGK-UHFFFAOYSA-N
Mol Weight 699.8 g/mol
Molecular Formula C39H45N3O9
Exact Mass 699.31558 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3AznsslNYUv
Name 1,3,5-Tris([(2,3-dimethoxy-4-methyl-benzoyl)-amino]-methyl)-benzene
CAS Registry Number 113323-56-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C39H45N3O9
InChI InChI=1S/C39H45N3O9/c1-22-10-13-28(34(49-7)31(22)46-4)37(43)40-19-25-16-26(20-41-38(44)29-14-11-23(2)32(47-5)35(29)50-8)18-27(17-25)21-42-39(45)30-15-12-24(3)33(48-6)36(30)51-9/h10-18H,19-21H2,1-9H3,(H,40,43)(H,41,44)(H,42,45)
InChIKey MNBFJHFDBRHHGK-UHFFFAOYSA-N
Instrument Name Special
Literature Reference D.J. Ecker, L.D. Loomis, M.E.Cass, J. Am. Chem. Soc. 110, 2457 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3