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

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3,5-BIS-[[3-TERT.-BUTYL-5-(IMIDAZOLYLMETHYL)-PHENYL]-METHYL]-1,2,4-TRIAZOLE
SpectraBase Compound ID GNFqYIqZR9G
InChI InChI=1S/C32H39N7/c1-31(2,3)27-13-23(11-25(15-27)19-38-9-7-33-21-38)17-29-35-30(37-36-29)18-24-12-26(20-39-10-8-34-22-39)16-28(14-24)32(4,5)6/h7-16,21-22H,17-20H2,1-6H3,(H,35,36,37)
InChIKey JRGQYPCIGIRIID-UHFFFAOYSA-N
Mol Weight 521.7 g/mol
Molecular Formula C32H39N7
Exact Mass 521.326694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FdovuNaIfE
Name 3,5-BIS-[[3-TERT.-BUTYL-5-(IMIDAZOLYLMETHYL)-PHENYL]-METHYL]-1,2,4-TRIAZOLE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H39N7
InChI InChI=1S/C32H39N7/c1-31(2,3)27-13-23(11-25(15-27)19-38-9-7-33-21-38)17-29-35-30(37-36-29)18-24-12-26(20-39-10-8-34-22-39)16-28(14-24)32(4,5)6/h7-16,21-22H,17-20H2,1-6H3,(H,35,36,37)
InChIKey JRGQYPCIGIRIID-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 521.709 g/mol
Solvent CDCl3
Source File Reference UWLU26512