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2-(1-phenyl-5-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrazol-3-yl)-10H-phenothiazine
SpectraBase Compound ID G9Gvr3cGWnE
InChI InChI=1S/C36H25N5S/c1-4-12-25(13-5-1)36-29(24-40(39-36)27-14-6-2-7-15-27)33-23-31(38-41(33)28-16-8-3-9-17-28)26-20-21-35-32(22-26)37-30-18-10-11-19-34(30)42-35/h1-24,37H
InChIKey UYNHQAYBGDDDDU-UHFFFAOYSA-N
Mol Weight 559.7 g/mol
Molecular Formula C36H25N5S
Exact Mass 559.183067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrgZ6TsKdpw
Name 2-(1-phenyl-5-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrazol-3-yl)-10H-phenothiazine
Appearance Yellow crystals
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Formula C36H25N5S
InChI InChI=1S/C36H25N5S/c1-4-12-25(13-5-1)36-29(24-40(39-36)27-14-6-2-7-15-27)33-23-31(38-41(33)28-16-8-3-9-17-28)26-20-21-35-32(22-26)37-30-18-10-11-19-34(30)42-35/h1-24,37H
InChIKey UYNHQAYBGDDDDU-UHFFFAOYSA-N
Instrument Name Kratos MS equipment or Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2716
Molecular Weight 559.691 g/mol
SMILES N1c2c(Sc3c1cccc3)ccc(c2)-c1n[n](-c2ccccc2)c(c1)-c1c(n[n](c1)-c1ccccc1)-c1ccccc1
SPLASH splash10-01t9-2021290000-ae5118c56ca4e940c39d
Source of Spectrum Y-54-1375-24
Thin-Layer Chromatography Rf = 0.86 (pet. ether (40-60)/ethyl acetate, 4:1.5)
Wiley ID 1878175