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Hexa(3,5-dimethylpyrazol-1-yl)benzene

View entire compound with spectra: 3 NMR, and 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zissVlDEm
Name Hexa(3,5-dimethylpyrazol-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 642.816 g/mol
SMILES c1(c(c(-[n]2nc(C)cc2C)c(c(c1-[n]1nc(C)cc1C)-[n]1nc(C)cc1C)-[n]1nc(C)cc1C)-[n]1nc(C)cc1C)-[n]1nc(C)cc1C
SPLASH splash10-002f-0000019000-b5e0f33e7adf75e32568
Source of Spectrum KC-0-1362-1
Synonyms 3,5-Dimethyl-1-[2,3,4,5,6-pentakis(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1H-pyrazole
Wiley ID 821804