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4,6-Bis[bis(3,5-dimethylpyrazolyl)methyl]dibenzofuran
SpectraBase Compound ID E2aKnhunDxL
InChI InChI=1S/C34H36N8O/c1-19-15-23(5)39(35-19)33(40-24(6)16-20(2)36-40)29-13-9-11-27-28-12-10-14-30(32(28)43-31(27)29)34(41-25(7)17-21(3)37-41)42-26(8)18-22(4)38-42/h9-18,33-34H,1-8H3
InChIKey BAVBNHFKGHVIGF-UHFFFAOYSA-N
Mol Weight 572.7 g/mol
Molecular Formula C34H36N8O
Exact Mass 572.301208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFRxgGGEjqB
Name 4,6-Bis[bis(3,5-dimethylpyrazolyl)methyl]dibenzofuran
Alternate Name(s) 4,6-bis(bis(3,5-dimethyl-1H-pyrazol-1-yl)methyl)dibenzo[b,d]furan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36N8O
InChI InChI=1S/C34H36N8O/c1-19-15-23(5)39(35-19)33(40-24(6)16-20(2)36-40)29-13-9-11-27-28-12-10-14-30(32(28)43-31(27)29)34(41-25(7)17-21(3)37-41)42-26(8)18-22(4)38-42/h9-18,33-34H,1-8H3
InChIKey BAVBNHFKGHVIGF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/zaac.201800271
Molecular Weight 572.717 g/mol
SMILES c1(n[n](c(c1)C)C([n]1c(cc(n1)C)C)c1c2c(ccc1)c1c(o2)c(ccc1)C([n]1c(cc(n1)C)C)[n]1nc(cc1C)C)C
SPLASH splash10-0059-0119410000-2bbf672b6c88ec503844
Source of Spectrum DZ-644-SM3-1c
Wiley ID 1815002