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2,7-Bis(1-(3-chlorophenyl)-1H-pyrazol-4-yl)-1,1,6,6-tetramethyl-1,6-dihydroindolo[7,6-g]indole
SpectraBase Compound ID 8BU7mayvlJW
InChI InChI=1S/C36H28Cl2N6/c1-35(2)29-13-11-28-27(31(29)41-33(35)21-17-39-43(19-21)25-9-5-7-23(37)15-25)12-14-30-32(28)42-34(36(30,3)4)22-18-40-44(20-22)26-10-6-8-24(38)16-26/h5-20H,1-4H3
InChIKey PRPCJMWISLCNRV-UHFFFAOYSA-N
Mol Weight 615.6 g/mol
Molecular Formula C36H28Cl2N6
Exact Mass 614.17525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tD1cohlzMt
Name 2,7-Bis(1-(3-chlorophenyl)-1H-pyrazol-4-yl)-1,1,6,6-tetramethyl-1,6-dihydroindolo[7,6-g]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H28Cl2N6
InChI InChI=1S/C36H28Cl2N6/c1-35(2)29-13-11-28-27(31(29)41-33(35)21-17-39-43(19-21)25-9-5-7-23(37)15-25)12-14-30-32(28)42-34(36(30,3)4)22-18-40-44(20-22)26-10-6-8-24(38)16-26/h5-20H,1-4H3
InChIKey PRPCJMWISLCNRV-UHFFFAOYSA-N
Instrument Name Agilent Technology HP 5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.220
Molecular Weight 615.568 g/mol
SMILES C1(C(=Nc2c3c(ccc12)c1N=C(C(c1cc3)(C)C)c1c[n](nc1)-c1cccc(c1)Cl)c1cn[n](c1)-c1cccc(c1)Cl)(C)C
SPLASH splash10-0596-6409200000-ed83f1638c35c67439d8
Source of Spectrum ARK-2011-258-16b
Wiley ID 1864398