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

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4-AMINO-3,5-BIS-[[3-TERT.-BUTYL-5-(HYDROXYMETHYL)-PHENYL]-METHYL]-1,2,4-TRIAZOLE
SpectraBase Compound ID CFEhwNbM4Oo
InChI InChI=1S/C26H36N4O2/c1-25(2,3)21-9-17(7-19(11-21)15-31)13-23-28-29-24(30(23)27)14-18-8-20(16-32)12-22(10-18)26(4,5)6/h7-12,31-32H,13-16,27H2,1-6H3
InChIKey JDZNQKNTJWWVFZ-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H36N4O2
Exact Mass 436.283826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOPoa7HeRz9
Name 4-AMINO-3,5-BIS-[[3-TERT.-BUTYL-5-(HYDROXYMETHYL)-PHENYL]-METHYL]-1,2,4-TRIAZOLE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36N4O2
InChI InChI=1S/C26H36N4O2/c1-25(2,3)21-9-17(7-19(11-21)15-31)13-23-28-29-24(30(23)27)14-18-8-20(16-32)12-22(10-18)26(4,5)6/h7-12,31-32H,13-16,27H2,1-6H3
InChIKey JDZNQKNTJWWVFZ-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 436.597 g/mol
Solvent CDCl3
Source File Reference UWLU26518