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3,5-BIS-[[[3-TERT.-BUTYL-5-(4,5-DIBUTYLIMIDAZOLYL)-METHYL]-PHENYL]-METHYL]-1,2,4-TRIAZOLE

View entire compound with spectra: 1 NMR

3,5-BIS-[[[3-TERT.-BUTYL-5-(4,5-DIBUTYLIMIDAZOLYL)-METHYL]-PHENYL]-METHYL]-1,2,4-TRIAZOLE
SpectraBase Compound ID F85S1XF83y5
InChI InChI=1S/C48H71N7/c1-11-15-19-41-43(21-17-13-3)54(33-49-41)31-37-23-35(25-39(27-37)47(5,6)7)29-45-51-46(53-52-45)30-36-24-38(28-40(26-36)48(8,9)10)32-55-34-50-42(20-16-12-2)44(55)22-18-14-4/h23-28,33-34H,11-22,29-32H2,1-10H3,(H,51,52,53)
InChIKey XSQDDMPNEMIBQF-UHFFFAOYSA-N
Mol Weight 746.1 g/mol
Molecular Formula C48H71N7
Exact Mass 745.577095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iad8n81gmbn
Name 3,5-BIS-[[[3-TERT.-BUTYL-5-(4,5-DIBUTYLIMIDAZOLYL)-METHYL]-PHENYL]-METHYL]-1,2,4-TRIAZOLE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H71N7
InChI InChI=1S/C48H71N7/c1-11-15-19-41-43(21-17-13-3)54(33-49-41)31-37-23-35(25-39(27-37)47(5,6)7)29-45-51-46(53-52-45)30-36-24-38(28-40(26-36)48(8,9)10)32-55-34-50-42(20-16-12-2)44(55)22-18-14-4/h23-28,33-34H,11-22,29-32H2,1-10H3,(H,51,52,53)
InChIKey XSQDDMPNEMIBQF-UHFFFAOYSA-N
Literature Reference Author E.ALCALDE,C.AYALA,I.DINARES,N.MESQUIDA
Literature Reference Citation J.ORG.CHEM.,66,2291(2001)
Literature Reference DOI 10.1021/jo0056794
Molecular Weight 746.139 g/mol
Solvent CDCl3
Source File Reference UWLU26513