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Hexa(3,5-dimethylpyrazol-1-yl)benzene
SpectraBase Compound ID 8ygBbCQg30Y
InChI InChI=1S/C36H42N12/c1-19-13-25(7)43(37-19)31-32(44-26(8)14-20(2)38-44)34(46-28(10)16-22(4)40-46)36(48-30(12)18-24(6)42-48)35(47-29(11)17-23(5)41-47)33(31)45-27(9)15-21(3)39-45/h13-18H,1-12H3
InChIKey KPPJUQFWNYIRGT-UHFFFAOYSA-N
Mol Weight 642.8 g/mol
Molecular Formula C36H42N12
Exact Mass 642.365539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KeRYHx07oTi
Name HEXA-(3,5-DIMETHYLPYRAZOL-1-YL)-BENZENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42N12
InChI InChI=1S/C36H42N12/c1-19-13-25(7)43(37-19)31-32(44-26(8)14-20(2)38-44)34(46-28(10)16-22(4)40-46)36(48-30(12)18-24(6)42-48)35(47-29(11)17-23(5)41-47)33(31)45-27(9)15-21(3)39-45/h13-18H,1-12H3
InChIKey KPPJUQFWNYIRGT-UHFFFAOYSA-N
Literature Reference Author C.FOCES-FOCES,A.L.LLAMAS-SAIZ,R.M.CLARAMUNT,N.JAGEROVIC,M.L. JIMENO,J.ELGUERO
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1359(1995)
Literature Reference DOI 10.1039/p29950001359
Molecular Weight 642.810 g/mol
Solvent CDCl3:CF2COOH=19:1
Source File Reference UWRU4624