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#10;2-[4-[27-(4-METHOXYPHENYL)-27,27-DIPHENYL-2,5,8,11,14,17,20-HEPTAOXA-26-THIAHEPTACOS-1-YL]-2,3-DIHYDRO-1H-1,2,3-TRIAZOL-1-YL]-ETHYL-6-DEOXY-2,3-O-(1-METHYL
SpectraBase Compound ID 7j8eqBbHSlN
InChI InChI=1S/C51H71N3O16S2/c1-50(2)68-47-46-45(39-66-72(55,56)70-46)67-49(48(47)69-50)65-23-21-54-37-43(52-53-54)38-64-35-34-63-33-32-62-31-30-61-29-28-60-27-26-59-25-24-58-22-11-6-12-36-71-51(40-13-7-4-8-14-40,41-15-9-5-10-16-41)42-17-19-44(57-3)20-18-42/h4-5,7-10,13-20,37,45-49H,6,11-12,21-36,38-39H2,1-3H3/t45-,46-,47+,48+,49+/m1/s1
InChIKey IMBMMFMRZGEELT-GTFHEYDISA-N
Mol Weight 1046.3 g/mol
Molecular Formula C51H71N3O16S2
Exact Mass 1045.427576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22qoUxeLEhT
Name #10;2-[4-[27-(4-METHOXYPHENYL)-27,27-DIPHENYL-2,5,8,11,14,17,20-HEPTAOXA-26-THIAHEPTACOS-1-YL]-2,3-DIHYDRO-1H-1,2,3-TRIAZOL-1-YL]-ETHYL-6-DEOXY-2,3-O-(1-METHYL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H71N3O16S2
InChI InChI=1S/C51H71N3O16S2/c1-50(2)68-47-46-45(39-66-72(55,56)70-46)67-49(48(47)69-50)65-23-21-54-37-43(52-53-54)38-64-35-34-63-33-32-62-31-30-61-29-28-60-27-26-59-25-24-58-22-11-6-12-36-71-51(40-13-7-4-8-14-40,41-15-9-5-10-16-41)42-17-19-44(57-3)20-18-42/h4-5,7-10,13-20,37,45-49H,6,11-12,21-36,38-39H2,1-3H3/t45-,46-,47+,48+,49+/m1/s1
InChIKey IMBMMFMRZGEELT-GTFHEYDISA-N
Literature Reference Author S.COMBEMALE,J.N.ASSAM-EVOUNG,S.HOUAIDJI,R.BIBI,V.BARRAGAN-MO NTERO
Literature Reference Citation MOLECULES,19,1120(2014)
Literature Reference DOI 10.3390/molecules19011120
Molecular Weight 1046.255 g/mol
Solvent CD3OD
Source File Reference UWBT14291