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

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1,3,5-Tris([(2,3-dihydroxy-4-methyl-benzoyl)-amino]-methyl)-benzene
SpectraBase Compound ID 1wa3CiKjsS7
InChI InChI=1S/C33H33N3O9/c1-16-4-7-22(28(40)25(16)37)31(43)34-13-19-10-20(14-35-32(44)23-8-5-17(2)26(38)29(23)41)12-21(11-19)15-36-33(45)24-9-6-18(3)27(39)30(24)42/h4-12,37-42H,13-15H2,1-3H3,(H,34,43)(H,35,44)(H,36,45)
InChIKey OAGAZSQKSWQBCH-UHFFFAOYSA-N
Mol Weight 615.6 g/mol
Molecular Formula C33H33N3O9
Exact Mass 615.22168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2XZI9sosZO
Name 1,3,5-Tris([(2,3-dihydroxy-4-methyl-benzoyl)-amino]-methyl)-benzene
CAS Registry Number 113323-57-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H33N3O9
InChI InChI=1S/C33H33N3O9/c1-16-4-7-22(28(40)25(16)37)31(43)34-13-19-10-20(14-35-32(44)23-8-5-17(2)26(38)29(23)41)12-21(11-19)15-36-33(45)24-9-6-18(3)27(39)30(24)42/h4-12,37-42H,13-15H2,1-3H3,(H,34,43)(H,35,44)(H,36,45)
InChIKey OAGAZSQKSWQBCH-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 DMSO-D6