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

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3,5-BIS-[[3-TERT.-BUTYL-5-(CHLOROMETHYL)-PHENYL]-METHYL]-1,2,4-TRIAZOLE
SpectraBase Compound ID 2TlHavlMljX
InChI InChI=1S/C26H33Cl2N3/c1-25(2,3)21-9-17(7-19(11-21)15-27)13-23-29-24(31-30-23)14-18-8-20(16-28)12-22(10-18)26(4,5)6/h7-12H,13-16H2,1-6H3,(H,29,30,31)
InChIKey ZUXNVEPAQWXWGQ-UHFFFAOYSA-N
Mol Weight 458.5 g/mol
Molecular Formula C26H33Cl2N3
Exact Mass 457.205153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 278G8UX1xe3
Name 3,5-BIS-[[3-TERT.-BUTYL-5-(CHLOROMETHYL)-PHENYL]-METHYL]-1,2,4-TRIAZOLE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H33Cl2N3
InChI InChI=1S/C26H33Cl2N3/c1-25(2,3)21-9-17(7-19(11-21)15-27)13-23-29-24(31-30-23)14-18-8-20(16-28)12-22(10-18)26(4,5)6/h7-12H,13-16H2,1-6H3,(H,29,30,31)
InChIKey ZUXNVEPAQWXWGQ-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 458.474 g/mol
Solvent CDCl3
Source File Reference UWLU26516