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4,12,17,24-TETRAOXO-6,9,19,22-TETRAKIS-(CARBOXYMETHYL)-3,6,9,12,16,19,22,25-OCTAAZA-1,4(1,3)-DIBENZACYCLOHEXACOSANO

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4,12,17,24-TETRAOXO-6,9,19,22-TETRAKIS-(CARBOXYMETHYL)-3,6,9,12,16,19,22,25-OCTAAZA-1,4(1,3)-DIBENZACYCLOHEXACOSANO
SpectraBase Compound ID 1d2T24dyxhF
InChI InChI=1S/C36H48N8O12/c45-29-17-41(21-33(49)50)7-9-43(23-35(53)54)19-31(47)39-15-27-5-2-6-28(12-27)16-40-32(48)20-44(24-36(55)56)10-8-42(22-34(51)52)18-30(46)38-14-26-4-1-3-25(11-26)13-37-29/h1-6,11-12H,7-10,13-24H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)
InChIKey GLRFSDNMTPWEHY-UHFFFAOYSA-N
Mol Weight 784.8 g/mol
Molecular Formula C36H48N8O12
Exact Mass 784.339169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImRMEQAVvRa
Name 4,12,17,24-TETRAOXO-6,9,19,22-TETRAKIS-(CARBOXYMETHYL)-3,6,9,12,16,19,22,25-OCTAAZA-1,4(1,3)-DIBENZACYCLOHEXACOSANO
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48N8O12
InChI InChI=1S/C36H48N8O12/c45-29-17-41(21-33(49)50)7-9-43(23-35(53)54)19-31(47)39-15-27-5-2-6-28(12-27)16-40-32(48)20-44(24-36(55)56)10-8-42(22-34(51)52)18-30(46)38-14-26-4-1-3-25(11-26)13-37-29/h1-6,11-12H,7-10,13-24H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)
InChIKey GLRFSDNMTPWEHY-UHFFFAOYSA-N
Literature Reference Author J.C.ALTAMIRANO-CORONADO,C.GODOY-ALCANTAR,F.MEDRANO
Literature Reference Citation MOLBANK,M519(2006)
Molecular Weight 784.824 g/mol
Solvent D2O:NA2CO3;PD=10.3
Source File Reference UWLU83161