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N,N',N'',N''',N'''',N'''''-HEXAKIS-[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-ALPHA,ALPHA,ALPHA,OMEGA,OMEGA,OMEGA-DODECANEHEXACARBOXAMIDE
SpectraBase Compound ID C0eYsa7UtmO
InChI InChI=1S/C42H80N6O24/c49-11-35(12-50,13-51)43-29(67)41(30(68)44-36(14-52,15-53)16-54,31(69)45-37(17-55,18-56)19-57)9-7-5-3-1-2-4-6-8-10-42(32(70)46-38(20-58,21-59)22-60,33(71)47-39(23-61,24-62)25-63)34(72)48-40(26-64,27-65)28-66/h49-66H,1-28H2,(H,43,67)(H,44,68)(H,45,69)(H,46,70)(H,47,71)(H,48,72)
InChIKey PWGILOZIYKQTTB-UHFFFAOYSA-N
Mol Weight 1053.1 g/mol
Molecular Formula C42H80N6O24
Exact Mass 1052.522397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5loBCWrQAM2
Name N,N',N'',N''',N'''',N'''''-HEXAKIS-[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-ALPHA,ALPHA,ALPHA,OMEGA,OMEGA,OMEGA-DODECANEHEXACARBOXAMIDE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H80N6O24
InChI InChI=1S/C42H80N6O24/c49-11-35(12-50,13-51)43-29(67)41(30(68)44-36(14-52,15-53)16-54,31(69)45-37(17-55,18-56)19-57)9-7-5-3-1-2-4-6-8-10-42(32(70)46-38(20-58,21-59)22-60,33(71)47-39(23-61,24-62)25-63)34(72)48-40(26-64,27-65)28-66/h49-66H,1-28H2,(H,43,67)(H,44,68)(H,45,69)(H,46,70)(H,47,71)(H,48,72)
InChIKey PWGILOZIYKQTTB-UHFFFAOYSA-N
Literature Reference Author G.R.NEWKOME,G.R.BAKER,S.ARAI,M.J.SAUNDERS,P.S.RUSSO,K.J.THER IOT,C.N.MOOREFIELD,L
Literature Reference Citation J.AM.CHEM.SOC.,112,8458(1990)
Literature Reference DOI 10.1021/ja00179a034
Molecular Weight 1053.123 g/mol
Solvent DMSO-D6
Source File Reference UWSI1113